(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol

C19H24N2O2 — CID 50959710

IUPAC(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@@H]2CCN(Cc3cccc(C)n3)C[C@H]2O)c1
InChIInChI=1S/C19H24N2O2/c1-14-5-3-7-16(20-14)12-21-10-9-18(19(22)13-21)15-6-4-8-17(11-15)23-2/h3-8,11,18-19,22H,9-10,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyNTHZVCBSZJFJRG-RBUKOAKNSA-N
MW312.41 g/mol
LogP2.75
Rot. Bonds4

About (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol

(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol (PubChem CID 50959710) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
PubChem CID50959710
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@@H]2CCN(Cc3cccc(C)n3)C[C@H]2O)c1
InChIInChI=1S/C19H24N2O2/c1-14-5-3-7-16(20-14)12-21-10-9-18(19(22)13-21)15-6-4-8-17(11-15)23-2/h3-8,11,18-19,22H,9-10,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyNTHZVCBSZJFJRG-RBUKOAKNSA-N
XLogP2.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol (CID 50959710) is (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol is COc1cccc([C@@H]2CCN(Cc3cccc(C)n3)C[C@H]2O)c1.
What is the InChIKey of (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is NTHZVCBSZJFJRG-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-5-3-7-16(20-14)12-21-10-9-18(19(22)13-21)15-6-4-8-17(11-15)23-2/h3-8,11,18-19,22H,9-10,12-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
(3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 312.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 50959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).