N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine

C41H45ClN4 — CID 21352445

IUPACN-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cncc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(Cl)cc4)CC3)c2)cc(C)c1C
InChIInChI=1S/C41H45ClN4/c1-27-17-35(18-28(2)31(27)5)37-21-34(23-43-24-37)25-45-15-12-40(13-16-45)46(39-9-7-38(42)8-10-39)26-33-11-14-44-41(22-33)36-19-29(3)32(6)30(4)20-36/h7-11,14,17-24,40H,12-13,15-16,25-26H2,1-6H3
InChIKeyBRVIKYWIKWEGIB-UHFFFAOYSA-N
MW629.29 g/mol
LogP9.99
Rot. Bonds8

About N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine

N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352445) has the molecular formula C41H45ClN4 and a molecular weight of 629.29 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352445
Molecular FormulaC41H45ClN4
Molecular Weight629.29 g/mol
Exact Mass628.33
IUPAC NameN-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cncc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(Cl)cc4)CC3)c2)cc(C)c1C
InChIInChI=1S/C41H45ClN4/c1-27-17-35(18-28(2)31(27)5)37-21-34(23-43-24-37)25-45-15-12-40(13-16-45)46(39-9-7-38(42)8-10-39)26-33-11-14-44-41(22-33)36-19-29(3)32(6)30(4)20-36/h7-11,14,17-24,40H,12-13,15-16,25-26H2,1-6H3
InChIKeyBRVIKYWIKWEGIB-UHFFFAOYSA-N
XLogP9.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.29
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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-(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
N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352369
N-(4-fluorophenyl)-N,1-bis[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 158631412
N-[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 162040484
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
N-(4-chlorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174152
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
tert-butyl 4-[4-chloro-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 21352596

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of 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) is N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine is Cc1cc(-c2cncc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(Cl)cc4)CC3)c2)cc(C)c1C.
What is the InChIKey of N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is BRVIKYWIKWEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45ClN4/c1-27-17-35(18-28(2)31(27)5)37-21-34(23-43-24-37)25-45-15-12-40(13-16-45)46(39-9-7-38(42)8-10-39)26-33-11-14-44-41(22-33)36-19-29(3)32(6)30(4)20-36/h7-11,14,17-24,40H,12-13,15-16,25-26H2,1-6H3.
What are the key properties of N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine?
N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 629.29 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).