3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol

C16H25NO — CID 83982303

IUPAC3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(13-18)11-16-9-5-6-10-17(16)12-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3
InChIKeyPDWIZIFBGCYORV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds5

About 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol

3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol (PubChem CID 83982303) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
PubChem CID83982303
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(13-18)11-16-9-5-6-10-17(16)12-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3
InChIKeyPDWIZIFBGCYORV-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine
CID 122225055
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol (CID 83982303) is 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol is CC(CO)CC1CCCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol?
The InChIKey is PDWIZIFBGCYORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(13-18)11-16-9-5-6-10-17(16)12-15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol?
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 83982303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).