N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

C19H24ClN3 — CID 124588776

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESC[C@H](NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3/c1-15(17-5-2-6-18(20)12-17)22-19-7-10-23(11-8-19)14-16-4-3-9-21-13-16/h2-6,9,12-13,15,19,22H,7-8,10-11,14H2,1H3/t15-/m0/s1
InChIKeyFKRRQIJGAKBZKD-HNNXBMFYSA-N
MW329.88 g/mol
LogP4.05
Rot. Bonds5

About N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 124588776) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID124588776
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESC[C@H](NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3/c1-15(17-5-2-6-18(20)12-17)22-19-7-10-23(11-8-19)14-16-4-3-9-21-13-16/h2-6,9,12-13,15,19,22H,7-8,10-11,14H2,1H3/t15-/m0/s1
InChIKeyFKRRQIJGAKBZKD-HNNXBMFYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-[(S)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229376
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229377
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 124588776) is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is C[C@H](NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is FKRRQIJGAKBZKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-15(17-5-2-6-18(20)12-17)22-19-7-10-23(11-8-19)14-16-4-3-9-21-13-16/h2-6,9,12-13,15,19,22H,7-8,10-11,14H2,1H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 329.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 124588776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).