3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine

C96H144N16O2 — CID 161038987

IUPAC3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN(CCO)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCNCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H23N.C13H20N2O.C13H19NO.C12H18N2.C12H17N.C11H16N2.C10H16N4.C10H15N3/c1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16;1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h5-8H,4,9-12H2,1-3H3;2-5,16H,6-11H2,1H3;2-5,12,14H,6-10H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3
InChIKeyUAQBMCJMUHHIQI-UHFFFAOYSA-N
MW1554.32 g/mol
LogP14.57
Rot. Bonds13

About 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine

3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 161038987) has the molecular formula C96H144N16O2 and a molecular weight of 1554.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine
PubChem CID161038987
Molecular FormulaC96H144N16O2
Molecular Weight1554.32 g/mol
Exact Mass1553.17
IUPAC Name3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN(CCO)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCNCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C15H23N.C13H20N2O.C13H19NO.C12H18N2.C12H17N.C11H16N2.C10H16N4.C10H15N3/c1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16;1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h5-8H,4,9-12H2,1-3H3;2-5,16H,6-11H2,1H3;2-5,12,14H,6-10H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3
InChIKeyUAQBMCJMUHHIQI-UHFFFAOYSA-N
XLogP14.57
TPSA136.62 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.32
LogP ≤ 514.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine with MolForge

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-pyridin-3-ylpyridin-2-amine
CID 135216292
5-(4-Tert-butylphenyl)-3-methyl-2-propan-2-ylpyrazine;2-(4-tert-butylpiperidin-1-yl)-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(1,1-difluoro-2-methylpropyl)phenyl]-4-methyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4-methyl-5-propan-2-ylpyrimidine
CID 160442984
ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine
CID 162286988
2-[4-[4-Methyl-6-[[6-(4-methylphenoxy)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 58309927
(S)-N,N-bis(4-methoxybenzyl)-4-(2-(6-methoxypyridin-3-ylamino)-5-((3-methylmorpholino)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548161
1-((5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperidin-4-ol
CID 59548254
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 66600531
2-(((5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-((6-methoxy-3-pyridinyl)amino)-3-pyridinyl)methyl)amino)ethanol
CID 66611483
6-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 88991012
2-[4-[6-[5-Ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]ethanol
CID 88991016
1-[4-[3-[4-[(5-Methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 90990792
N-[(4-methoxyphenyl)methyl]-4-methyl-6-[5-(piperazin-1-ylmethyl)-2-[(6-propyl-3-pyridinyl)amino]-3-pyridinyl]-N-[(4-propylphenyl)methyl]-1,3,5-triazin-2-amine
CID 117998178

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine (CID 161038987) is 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine is Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccc(N2CCN(CCO)CC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OCC2CCNCC2)cc1.Cc1cnc(N2CCN(C)CC2)cn1.
What is the InChIKey of 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is UAQBMCJMUHHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H20N2O.C13H19NO.C12H18N2.C12H17N.C11H16N2.C10H16N4.C10H15N3/c1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16;1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h5-8H,4,9-12H2,1-3H3;2-5,16H,6-11H2,1H3;2-5,12,14H,6-10H2,1H3;3-6H,7-10H2,1-2H3;5-8H,2-4,9-10H2,1H3;2-5,12H,6-9H2,1H3;7-8H,3-6H2,1-2H3;2-3,8,11H,4-7H2,1H3.
What are the key properties of 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine?
3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 1554.32 g/mol, XLogP of 14.57, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;4-[(4-methylphenoxy)methyl]piperidine;1-(4-methylphenyl)piperazine;2-[4-(4-methylphenyl)piperazin-1-yl]ethanol;1-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 161038987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).