(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol

C21H29NO3 — CID 134714037

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(Cc2ccc3cc(OC)ccc3c2)C[C@H]1O
InChIInChI=1S/C21H29NO3/c1-3-8-21(15-23)9-10-22(14-20(21)24)13-16-4-5-18-12-19(25-2)7-6-17(18)11-16/h4-7,11-12,20,23-24H,3,8-10,13-15H2,1-2H3/t20-,21-/m1/s1
InChIKeyZELQICOLEDDSTR-NHCUHLMSSA-N
MW343.47 g/mol
LogP3.19
Rot. Bonds6

About (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol (PubChem CID 134714037) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol
PubChem CID134714037
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(Cc2ccc3cc(OC)ccc3c2)C[C@H]1O
InChIInChI=1S/C21H29NO3/c1-3-8-21(15-23)9-10-22(14-20(21)24)13-16-4-5-18-12-19(25-2)7-6-17(18)11-16/h4-7,11-12,20,23-24H,3,8-10,13-15H2,1-2H3/t20-,21-/m1/s1
InChIKeyZELQICOLEDDSTR-NHCUHLMSSA-N
XLogP3.19
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol with MolForge

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Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[(3-prop-2-enoxyphenyl)methyl]-4-propylpiperidin-3-ol
CID 134697649
(3S,4R)-9-[(6-methoxynaphthalen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165417755
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 155498461
(3S,4R)-1-[(5-fluoro-2-methylphenyl)methyl]-4-(hydroxymethyl)-4-propylpiperidin-3-ol
CID 134701590
(3S,4R)-4-(hydroxymethyl)-1-(2-phenylethyl)-4-propylpiperidin-3-ol
CID 155912185
(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155509305
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
1-[(6-fluorooxynaphthalen-2-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 146646538
(3R,4S)-3-hydroxy-1-[(4-methoxy-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 135118557
(3S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)-4-propylpiperidin-3-ol
CID 134696890
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol (CID 134714037) is (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol is CCC[C@]1(CO)CCN(Cc2ccc3cc(OC)ccc3c2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol?
The InChIKey is ZELQICOLEDDSTR-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H29NO3/c1-3-8-21(15-23)9-10-22(14-20(21)24)13-16-4-5-18-12-19(25-2)7-6-17(18)11-16/h4-7,11-12,20,23-24H,3,8-10,13-15H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol has a molecular weight of 343.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol is sourced from PubChem (CID 134714037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).