N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine

C43H49N3 — CID 21352531

IUPACN-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cccc(N(Cc2cccc(-c3cc(C)c(C)c(C)c3)c2)C2CCN(Cc3cncc(-c4cc(C)c(C)c(C)c4)c3)CC2)c1
InChIInChI=1S/C43H49N3/c1-29-10-8-13-43(18-29)46(28-36-11-9-12-38(23-36)39-19-30(2)34(6)31(3)20-39)42-14-16-45(17-15-42)27-37-24-41(26-44-25-37)40-21-32(4)35(7)33(5)22-40/h8-13,18-26,42H,14-17,27-28H2,1-7H3
InChIKeyAQAUWQGGLFNJHP-UHFFFAOYSA-N
MW607.89 g/mol
LogP10.25
Rot. Bonds8

About N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine

N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352531) has the molecular formula C43H49N3 and a molecular weight of 607.89 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352531
Molecular FormulaC43H49N3
Molecular Weight607.89 g/mol
Exact Mass607.39
IUPAC NameN-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cccc(N(Cc2cccc(-c3cc(C)c(C)c(C)c3)c2)C2CCN(Cc3cncc(-c4cc(C)c(C)c(C)c4)c3)CC2)c1
InChIInChI=1S/C43H49N3/c1-29-10-8-13-43(18-29)46(28-36-11-9-12-38(23-36)39-19-30(2)34(6)31(3)20-39)42-14-16-45(17-15-42)27-37-24-41(26-44-25-37)40-21-32(4)35(7)33(5)22-40/h8-13,18-26,42H,14-17,27-28H2,1-7H3
InChIKeyAQAUWQGGLFNJHP-UHFFFAOYSA-N
XLogP10.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.89
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N,1-bis[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 158631412
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352563
N-(3,4-difluorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352403
N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 18174133
N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352445
N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 162051714
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 160932241
N-(3-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352526
N-(4-butoxyphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-N-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 20765914
8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 42851797
1-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 161333422

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine (CID 21352531) is N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine is Cc1cccc(N(Cc2cccc(-c3cc(C)c(C)c(C)c3)c2)C2CCN(Cc3cncc(-c4cc(C)c(C)c(C)c4)c3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is AQAUWQGGLFNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3/c1-29-10-8-13-43(18-29)46(28-36-11-9-12-38(23-36)39-19-30(2)34(6)31(3)20-39)42-14-16-45(17-15-42)27-37-24-41(26-44-25-37)40-21-32(4)35(7)33(5)22-40/h8-13,18-26,42H,14-17,27-28H2,1-7H3.
What are the key properties of N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 607.89 g/mol, XLogP of 10.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).