1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

C21H28ClN3 — CID 42100663

IUPAC1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H28ClN3/c1-24(15-19-8-11-23-12-9-19)16-20-3-2-13-25(17-20)14-10-18-4-6-21(22)7-5-18/h4-9,11-12,20H,2-3,10,13-17H2,1H3/t20-/m1/s1
InChIKeyOBIVEVRZSWHAQJ-HXUWFJFHSA-N
MW357.93 g/mol
LogP4.12
Rot. Bonds7

About 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 42100663) has the molecular formula C21H28ClN3 and a molecular weight of 357.93 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
PubChem CID42100663
Molecular FormulaC21H28ClN3
Molecular Weight357.93 g/mol
Exact Mass357.20
IUPAC Name1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H28ClN3/c1-24(15-19-8-11-23-12-9-19)16-20-3-2-13-25(17-20)14-10-18-4-6-21(22)7-5-18/h4-9,11-12,20H,2-3,10,13-17H2,1H3/t20-/m1/s1
InChIKeyOBIVEVRZSWHAQJ-HXUWFJFHSA-N
XLogP4.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 45243649
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 45238729
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
4-chloro-2-[[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]phenol
CID 42383425
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
CID 56701602
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 42518255
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (CID 42100663) is 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is CN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is OBIVEVRZSWHAQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28ClN3/c1-24(15-19-8-11-23-12-9-19)16-20-3-2-13-25(17-20)14-10-18-4-6-21(22)7-5-18/h4-9,11-12,20H,2-3,10,13-17H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 357.93 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 42100663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).