(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol

C16H26N2O3 — CID 155919102

IUPAC(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2nc(C)ccc2OC)C[C@@H]1O
InChIInChI=1S/C16H26N2O3/c1-4-7-16(11-19)8-9-18(10-14(16)20)15-13(21-3)6-5-12(2)17-15/h5-6,14,19-20H,4,7-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyYXZCAVJHBQJWFR-GOEBONIOSA-N
MW294.39 g/mol
LogP1.75
Rot. Bonds5

About (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol (PubChem CID 155919102) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol
PubChem CID155919102
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2nc(C)ccc2OC)C[C@@H]1O
InChIInChI=1S/C16H26N2O3/c1-4-7-16(11-19)8-9-18(10-14(16)20)15-13(21-3)6-5-12(2)17-15/h5-6,14,19-20H,4,7-11H2,1-3H3/t14-,16+/m0/s1
InChIKeyYXZCAVJHBQJWFR-GOEBONIOSA-N
XLogP1.75
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol (CID 155919102) is (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol is CCC[C@]1(CO)CCN(c2nc(C)ccc2OC)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol?
The InChIKey is YXZCAVJHBQJWFR-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-16(11-19)8-9-18(10-14(16)20)15-13(21-3)6-5-12(2)17-15/h5-6,14,19-20H,4,7-11H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol has a molecular weight of 294.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-propylpiperidin-3-ol is sourced from PubChem (CID 155919102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).