(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol

C16H25NO — CID 138481036

IUPAC(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
SMILESCCC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)cc2)N1
InChIInChI=1S/C16H25NO/c1-3-5-14-6-4-7-15(17-14)16(18)13-10-8-12(2)9-11-13/h8-11,14-18H,3-7H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyVFMNZRGVSQLMCB-BZUAXINKSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds4

About (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol

(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol (PubChem CID 138481036) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
PubChem CID138481036
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
SMILESCCC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)cc2)N1
InChIInChI=1S/C16H25NO/c1-3-5-14-6-4-7-15(17-14)16(18)13-10-8-12(2)9-11-13/h8-11,14-18H,3-7H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyVFMNZRGVSQLMCB-BZUAXINKSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
CID 138481027
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
[5-[2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 54560286

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol?
The IUPAC name of (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol (CID 138481036) is (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol.
What is the SMILES notation for (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol?
The canonical SMILES for (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol is CCC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)cc2)N1.
What is the InChIKey of (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol?
The InChIKey is VFMNZRGVSQLMCB-BZUAXINKSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-14-6-4-7-15(17-14)16(18)13-10-8-12(2)9-11-13/h8-11,14-18H,3-7H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol?
(R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methylphenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol is sourced from PubChem (CID 138481036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).