(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine

C18H23N3 — CID 124590956

IUPAC(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
SMILESc1ccc(N[C@@H]2CCCN(CCc3ccncc3)C2)cc1
InChIInChI=1S/C18H23N3/c1-2-5-17(6-3-1)20-18-7-4-13-21(15-18)14-10-16-8-11-19-12-9-16/h1-3,5-6,8-9,11-12,18,20H,4,7,10,13-15H2/t18-/m1/s1
InChIKeyWVIIHAQZPVDNQK-GOSISDBHSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds5

About (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine

(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine (PubChem CID 124590956) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
PubChem CID124590956
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
SMILESc1ccc(N[C@@H]2CCCN(CCc3ccncc3)C2)cc1
InChIInChI=1S/C18H23N3/c1-2-5-17(6-3-1)20-18-7-4-13-21(15-18)14-10-16-8-11-19-12-9-16/h1-3,5-6,8-9,11-12,18,20H,4,7,10,13-15H2/t18-/m1/s1
InChIKeyWVIIHAQZPVDNQK-GOSISDBHSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 95891656
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine?
The IUPAC name of (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine (CID 124590956) is (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine?
The canonical SMILES for (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine is c1ccc(N[C@@H]2CCCN(CCc3ccncc3)C2)cc1.
What is the InChIKey of (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine?
The InChIKey is WVIIHAQZPVDNQK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-5-17(6-3-1)20-18-7-4-13-21(15-18)14-10-16-8-11-19-12-9-16/h1-3,5-6,8-9,11-12,18,20H,4,7,10,13-15H2/t18-/m1/s1.
What are the key properties of (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine?
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine is sourced from PubChem (CID 124590956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).