4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol

C18H29NO — CID 66455203

IUPAC4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(20)18(2,3)14-19-11-9-17(10-12-19)13-16-7-5-4-6-8-16/h4-8,15,17,20H,9-14H2,1-3H3
InChIKeyRVOIPHASCJZKCS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.35
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol

4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 66455203) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID66455203
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(20)18(2,3)14-19-11-9-17(10-12-19)13-16-7-5-4-6-8-16/h4-8,15,17,20H,9-14H2,1-3H3
InChIKeyRVOIPHASCJZKCS-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
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
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methylpiperidine;ethane
CID 142009767
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
CID 64818556
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol (CID 66455203) is 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is RVOIPHASCJZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(20)18(2,3)14-19-11-9-17(10-12-19)13-16-7-5-4-6-8-16/h4-8,15,17,20H,9-14H2,1-3H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol?
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 275.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66455203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).