(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol

C19H24N2O2 — CID 110145232

IUPAC(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol
SMILESCc1cccnc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H24N2O2/c1-15-7-6-11-20-17(15)13-21-12-10-19(2,22)18(14-21)23-16-8-4-3-5-9-16/h3-9,11,18,22H,10,12-14H2,1-2H3/t18-,19-/m1/s1
InChIKeySNLPIGSAKYHOGW-RTBURBONSA-N
MW312.41 g/mol
LogP2.79
Rot. Bonds4

About (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol

(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol (PubChem CID 110145232) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol
PubChem CID110145232
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol
SMILESCc1cccnc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H24N2O2/c1-15-7-6-11-20-17(15)13-21-12-10-19(2,22)18(14-21)23-16-8-4-3-5-9-16/h3-9,11,18,22H,10,12-14H2,1-2H3/t18-,19-/m1/s1
InChIKeySNLPIGSAKYHOGW-RTBURBONSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol?
The IUPAC name of (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol (CID 110145232) is (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol is Cc1cccnc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1.
What is the InChIKey of (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol?
The InChIKey is SNLPIGSAKYHOGW-RTBURBONSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-7-6-11-20-17(15)13-21-12-10-19(2,22)18(14-21)23-16-8-4-3-5-9-16/h3-9,11,18,22H,10,12-14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol?
(3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol has a molecular weight of 312.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-phenoxypiperidin-4-ol is sourced from PubChem (CID 110145232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).