2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine

C29H36N2O — CID 19012806

IUPAC2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1NC1CCCNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36N2O/c1-29(2,3)23-17-18-26(32-4)25(20-23)31-24-16-11-19-30-28(24)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,17-18,20,24,27-28,30-31H,11,16,19H2,1-4H3
InChIKeyUXDNKAKDUCQUQH-UHFFFAOYSA-N
MW428.62 g/mol
LogP6.36
Rot. Bonds6

About 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine

2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine (PubChem CID 19012806) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine
PubChem CID19012806
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1NC1CCCNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36N2O/c1-29(2,3)23-17-18-26(32-4)25(20-23)31-24-16-11-19-30-28(24)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,17-18,20,24,27-28,30-31H,11,16,19H2,1-4H3
InChIKeyUXDNKAKDUCQUQH-UHFFFAOYSA-N
XLogP6.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine
CID 67820452
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
(2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 67820435
4-benzhydryl-N-[5-tert-butyl-2-(trifluoromethoxy)phenyl]-5-azatricyclo[4.4.1.02,10]undecan-3-amine
CID 54007260
5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871662
5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539259
2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine
CID 115117769
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine (CID 19012806) is 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine is COc1ccc(C(C)(C)C)cc1NC1CCCNC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine?
The InChIKey is UXDNKAKDUCQUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-29(2,3)23-17-18-26(32-4)25(20-23)31-24-16-11-19-30-28(24)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,17-18,20,24,27-28,30-31H,11,16,19H2,1-4H3.
What are the key properties of 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine?
2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine has a molecular weight of 428.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-N-(5-tert-butyl-2-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 19012806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).