1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol

C18H29NO2 — CID 83045560

IUPAC1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-2-8-17-11-6-7-12-19(17)13-18(20)15-21-14-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3
InChIKeyVLJSTPDUBKPIQP-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.22
Rot. Bonds8

About 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol

1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol (PubChem CID 83045560) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
PubChem CID83045560
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-2-8-17-11-6-7-12-19(17)13-18(20)15-21-14-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3
InChIKeyVLJSTPDUBKPIQP-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol (CID 83045560) is 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol is CCCC1CCCCN1CC(O)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is VLJSTPDUBKPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-8-17-11-6-7-12-19(17)13-18(20)15-21-14-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3.
What are the key properties of 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol?
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 291.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 83045560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).