2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine

C106H222F5N29O3 — CID 157102458

About 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine

2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 157102458) has the molecular formula C106H222F5N29O3 and a molecular weight of 2046.13 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine
• PubChem CID: 157102458
• Molecular Formula: C106H222F5N29O3
• Molecular Weight: 2046.13 g/mol
• Exact Mass: 2044.80
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine
• SMILES: CCCCCn1ccnc1.CNCC1(F)CCN(C)CC1.CNCC1(F)CCNCC1.CNCC1(N(C)C)CCOCC1.CNCC1CCN(C)CC1.CNCCN(C)C.CNCCN1CCC(F)(F)CC1.CNCCN1CCC(F)CC1.CNCCN1CCC(O)CC1.CNCCN1CCCCC1.CNCCN1CCN(C)CC1.CNCCN1CCOCC1.CNCc1cccnc1.CNCc1ccncc1
• InChI: InChI=1S/C9H20N2O.C8H16F2N2.2C8H17FN2.C8H19N3.C8H18N2O.2C8H18N2.C8H14N2.C7H15FN2.C7H16N2O.2C7H10N2.C5H14N2/c1-10-8-9(11(2)3)4-6-12-7-5-9;1-11-4-7-12-5-2-8(9,10)3-6-12;1-10-7-8(9)3-5-11(2)6-4-8;1-10-4-7-11-5-2-8(9)3-6-11;1-9-3-4-11-7-5-10(2)6-8-11;1-9-4-7-10-5-2-8(11)3-6-10;1-9-7-8-3-5-10(2)6-4-8;1-9-5-8-10-6-3-2-4-7-10;1-2-3-4-6-10-7-5-9-8-10;1-9-6-7(8)2-4-10-5-3-7;1-8-2-3-9-4-6-10-7-5-9;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-6-4-5-7(2)3/h10H,4-8H2,1-3H3;11H,2-7H2,1H3;10H,3-7H2,1-2H3;8,10H,2-7H2,1H3;9H,3-8H2,1-2H3;8-9,11H,2-7H2,1H3;8-9H,3-7H2,1-2H3;9H,2-8H2,1H3;5,7-8H,2-4,6H2,1H3;9-10H,2-6H2,1H3;8H,2-7H2,1H3;2-5,8H,6H2,1H3;2-4,6,8H,5H2,1H3;6H,4-5H2,1-3H3
• InChIKey: AFXNSDOWCWZVAJ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 286.35 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.13
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine (CID 157102458) is 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine is CCCCCn1ccnc1.CNCC1(F)CCN(C)CC1.CNCC1(F)CCNCC1.CNCC1(N(C)C)CCOCC1.CNCC1CCN(C)CC1.CNCCN(C)C.CNCCN1CCC(F)(F)CC1.CNCCN1CCC(F)CC1.CNCCN1CCC(O)CC1.CNCCN1CCCCC1.CNCCN1CCN(C)CC1.CNCCN1CCOCC1.CNCc1cccnc1.CNCc1ccncc1.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine?

The InChIKey is AFXNSDOWCWZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C8H16F2N2.2C8H17FN2.C8H19N3.C8H18N2O.2C8H18N2.C8H14N2.C7H15FN2.C7H16N2O.2C7H10N2.C5H14N2/c1-10-8-9(11(2)3)4-6-12-7-5-9;1-11-4-7-12-5-2-8(9,10)3-6-12;1-10-7-8(9)3-5-11(2)6-4-8;1-10-4-7-11-5-2-8(9)3-6-11;1-9-3-4-11-7-5-10(2)6-8-11;1-9-4-7-10-5-2-8(11)3-6-10;1-9-7-8-3-5-10(2)6-4-8;1-9-5-8-10-6-3-2-4-7-10;1-2-3-4-6-10-7-5-9-8-10;1-9-6-7(8)2-4-10-5-3-7;1-8-2-3-9-4-6-10-7-5-9;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-6-4-5-7(2)3/h10H,4-8H2,1-3H3;11H,2-7H2,1H3;10H,3-7H2,1-2H3;8,10H,2-7H2,1H3;9H,3-8H2,1-2H3;8-9,11H,2-7H2,1H3;8-9H,3-7H2,1-2H3;9H,2-8H2,1H3;5,7-8H,2-4,6H2,1H3;9-10H,2-6H2,1H3;8H,2-7H2,1H3;2-5,8H,6H2,1H3;2-4,6,8H,5H2,1H3;6H,4-5H2,1-3H3.

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine?

2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 2046.13 g/mol, XLogP of 6.17, 38 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine;N,N-dimethyl-4-(methylaminomethyl)oxan-4-amine;1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine;2-(4-fluoropiperidin-1-yl)-N-methylethanamine;1-(4-fluoropiperidin-4-yl)-N-methylmethanamine;1-[2-(methylamino)ethyl]piperidin-4-ol;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine;N-methyl-2-morpholin-4-ylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-3-ylmethanamine;N-methyl-1-pyridin-4-ylmethanamine;1-pentylimidazole;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 157102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).