(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine

C24H27N3O — CID 10499614

IUPAC(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1
InChIKeyBQYNOCZVNLUEFZ-UPVQGACJSA-N
MW373.50 g/mol
LogP4.34
Rot. Bonds6

About (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 10499614) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID10499614
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1
InChIKeyBQYNOCZVNLUEFZ-UPVQGACJSA-N
XLogP4.34
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine (CID 10499614) is (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is BQYNOCZVNLUEFZ-UPVQGACJSA-N. The full InChI is InChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 373.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10499614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).