tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

C129H225ClN24O16 — CID 158930298

About tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine

tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 158930298) has the molecular formula C129H225ClN24O16 and a molecular weight of 2403.82 g/mol. Its IUPAC name is tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
• PubChem CID: 158930298
• Molecular Formula: C129H225ClN24O16
• Molecular Weight: 2403.82 g/mol
• Exact Mass: 2401.72
• IUPAC Name: tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
• SMILES: CC(C)(C)OC(=O)NCC1CCNCC1.CCCC1(CCCNC)OCCO1.CCNC.CNCC(O)c1ccc(O)cc1.CNCC1OCCO1.CNCCCCCCOc1ccc(OC)cc1.CNCCCN(C)C.CNCCN(C)C.CNCCc1ccccn1.CNC[C@H](O)c1ccc(O)c(O)c1.CNCc1ccccc1Cl.CNCc1cccnc1.O=[N+]([O-])c1ccc(CN2CCCNCC2)nc1.OCCCNCc1ccncc1.c1ccc(CCCC2CCNCC2)cc1
• InChI: InChI=1S/C14H23NO2.C14H21N.C11H16N4O2.C11H22N2O2.C10H21NO2.C9H14N2O.C9H13NO3.C9H13NO2.C8H10ClN.C8H12N2.C7H10N2.C6H16N2.C5H14N2.C5H11NO2.C3H9N/c1-15-11-5-3-4-6-12-17-14-9-7-13(16-2)8-10-14;1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;16-15(17)11-3-2-10(13-8-11)9-14-6-1-4-12-5-7-14;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;1-3-5-10(6-4-7-11-2)12-8-9-13-10;12-7-1-4-11-8-9-2-5-10-6-3-9;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-10-6-9(12)7-2-4-8(11)5-3-7;1-10-6-7-4-2-3-5-8(7)9;1-9-7-5-8-4-2-3-6-10-8;1-8-5-7-3-2-4-9-6-7;1-7-5-4-6-8(2)3;1-6-4-5-7(2)3;1-6-4-5-7-2-3-8-5;1-3-4-2/h7-10,15H,3-6,11-12H2,1-2H3;1-3,5-6,14-15H,4,7-12H2;2-3,8,12H,1,4-7,9H2;9,12H,4-8H2,1-3H3,(H,13,14);11H,3-9H2,1-2H3;2-3,5-6,11-12H,1,4,7-8H2;2-4,9-13H,5H2,1H3;2-5,9-12H,6H2,1H3;2-5,10H,6H2,1H3;2-4,6,9H,5,7H2,1H3;2-4,6,8H,5H2,1H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,2-4H2,1H3;4H,3H2,1-2H3/t;;;;;;9-;;;;;;;;/m......0......../s1
• InChIKey: JIYUUNBRQDCAQG-SXFPMQPLSA-N
• XLogP: 14.67
• TPSA: 499.96 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 38
• Rotatable Bonds: 52
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.82
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?

The IUPAC name of tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine (CID 158930298) is tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine.

What is the SMILES notation for tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?

The canonical SMILES for tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is CC(C)(C)OC(=O)NCC1CCNCC1.CCCC1(CCCNC)OCCO1.CCNC.CNCC(O)c1ccc(O)cc1.CNCC1OCCO1.CNCCCCCCOc1ccc(OC)cc1.CNCCCN(C)C.CNCCN(C)C.CNCCc1ccccn1.CNC[C@H](O)c1ccc(O)c(O)c1.CNCc1ccccc1Cl.CNCc1cccnc1.O=[N+]([O-])c1ccc(CN2CCCNCC2)nc1.OCCCNCc1ccncc1.c1ccc(CCCC2CCNCC2)cc1.

What is the InChIKey of tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?

The InChIKey is JIYUUNBRQDCAQG-SXFPMQPLSA-N. The full InChI is InChI=1S/C14H23NO2.C14H21N.C11H16N4O2.C11H22N2O2.C10H21NO2.C9H14N2O.C9H13NO3.C9H13NO2.C8H10ClN.C8H12N2.C7H10N2.C6H16N2.C5H14N2.C5H11NO2.C3H9N/c1-15-11-5-3-4-6-12-17-14-9-7-13(16-2)8-10-14;1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;16-15(17)11-3-2-10(13-8-11)9-14-6-1-4-12-5-7-14;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;1-3-5-10(6-4-7-11-2)12-8-9-13-10;12-7-1-4-11-8-9-2-5-10-6-3-9;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-10-6-9(12)7-2-4-8(11)5-3-7;1-10-6-7-4-2-3-5-8(7)9;1-9-7-5-8-4-2-3-6-10-8;1-8-5-7-3-2-4-9-6-7;1-7-5-4-6-8(2)3;1-6-4-5-7(2)3;1-6-4-5-7-2-3-8-5;1-3-4-2/h7-10,15H,3-6,11-12H2,1-2H3;1-3,5-6,14-15H,4,7-12H2;2-3,8,12H,1,4-7,9H2;9,12H,4-8H2,1-3H3,(H,13,14);11H,3-9H2,1-2H3;2-3,5-6,11-12H,1,4,7-8H2;2-4,9-13H,5H2,1H3;2-5,9-12H,6H2,1H3;2-5,10H,6H2,1H3;2-4,6,9H,5,7H2,1H3;2-4,6,8H,5H2,1H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,2-4H2,1H3;4H,3H2,1-2H3/t;;;;;;9-;;;;;;;;/m......0......../s1.

What are the key properties of tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine?

tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 2403.82 g/mol, XLogP of 14.67, 52 rotatable bonds, 22 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(piperidin-4-ylmethyl)carbamate;1-(2-chlorophenyl)-N-methylmethanamine;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]phenol;6-(4-methoxyphenoxy)-N-methylhexan-1-amine;N-methylethanamine;N-methyl-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine;N-methyl-2-pyridin-2-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;1-[(5-nitro-2-pyridinyl)methyl]-1,4-diazepane;4-(3-phenylpropyl)piperidine;3-(pyridin-4-ylmethylamino)propan-1-ol;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 158930298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).