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

C23H26N4O — CID 10643148

IUPAC(2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cncnc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O/c1-28-22-10-9-18(20-13-24-16-25-14-20)12-19(22)15-27-21-8-5-11-26-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,16,21,23,26-27H,5,8,11,15H2,1H3/t21-,23-/m0/s1
InChIKeyXNSRMMMMRYDUFW-GMAHTHKFSA-N
MW374.49 g/mol
LogP3.74
Rot. Bonds6

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

(2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 10643148) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID10643148
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cncnc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O/c1-28-22-10-9-18(20-13-24-16-25-14-20)12-19(22)15-27-21-8-5-11-26-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,16,21,23,26-27H,5,8,11,15H2,1H3/t21-,23-/m0/s1
InChIKeyXNSRMMMMRYDUFW-GMAHTHKFSA-N
XLogP3.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine (CID 10643148) is (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2cncnc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is XNSRMMMMRYDUFW-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-22-10-9-18(20-13-24-16-25-14-20)12-19(22)15-27-21-8-5-11-26-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,16,21,23,26-27H,5,8,11,15H2,1H3/t21-,23-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 374.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10643148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).