(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol

C22H29NO2 — CID 138481027

IUPAC(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
SMILESCCCC1CCCC(C(O)c2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C22H29NO2/c1-2-8-19-12-7-14-21(23-19)22(24)18-11-6-13-20(15-18)25-16-17-9-4-3-5-10-17/h3-6,9-11,13,15,19,21-24H,2,7-8,12,14,16H2,1H3
InChIKeyZVNYFLCPJCIWAO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.61
Rot. Bonds7

About (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol

(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol (PubChem CID 138481027) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
PubChem CID138481027
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
SMILESCCCC1CCCC(C(O)c2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C22H29NO2/c1-2-8-19-12-7-14-21(23-19)22(24)18-11-6-13-20(15-18)25-16-17-9-4-3-5-10-17/h3-6,9-11,13,15,19,21-24H,2,7-8,12,14,16H2,1H3
InChIKeyZVNYFLCPJCIWAO-UHFFFAOYSA-N
XLogP4.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 139823105
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[5-[2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 54560286

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol?
The IUPAC name of (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol (CID 138481027) is (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol.
What is the SMILES notation for (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol?
The canonical SMILES for (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol is CCCC1CCCC(C(O)c2cccc(OCc3ccccc3)c2)N1.
What is the InChIKey of (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol?
The InChIKey is ZVNYFLCPJCIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-8-19-12-7-14-21(23-19)22(24)18-11-6-13-20(15-18)25-16-17-9-4-3-5-10-17/h3-6,9-11,13,15,19,21-24H,2,7-8,12,14,16H2,1H3.
What are the key properties of (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol?
(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol has a molecular weight of 339.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol is sourced from PubChem (CID 138481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).