1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol

C16H25NO — CID 39350302

IUPAC1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-16(2,18)13-17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyGXROWMIPNMAEHE-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol

1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol (PubChem CID 39350302) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
PubChem CID39350302
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-16(2,18)13-17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyGXROWMIPNMAEHE-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
CID 64818556
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
4-benzyl-1-methylpiperidine;ethane
CID 142009767
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol (CID 39350302) is 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is GXROWMIPNMAEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,18)13-17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 39350302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).