1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol

C17H27NO — CID 72524846

IUPAC1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
SMILESCCCC1(O)C(C)CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-4-10-17(19)14(2)11-18(12-15(17)3)13-16-8-6-5-7-9-16/h5-9,14-15,19H,4,10-13H2,1-3H3
InChIKeyFDXKYGKQUUXQGQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.31
Rot. Bonds4

About 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol

1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol (PubChem CID 72524846) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
PubChem CID72524846
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
SMILESCCCC1(O)C(C)CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-4-10-17(19)14(2)11-18(12-15(17)3)13-16-8-6-5-7-9-16/h5-9,14-15,19H,4,10-13H2,1-3H3
InChIKeyFDXKYGKQUUXQGQ-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
CID 167458365
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol?
The IUPAC name of 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol (CID 72524846) is 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol?
The canonical SMILES for 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol is CCCC1(O)C(C)CN(Cc2ccccc2)CC1C.
What is the InChIKey of 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol?
The InChIKey is FDXKYGKQUUXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-17(19)14(2)11-18(12-15(17)3)13-16-8-6-5-7-9-16/h5-9,14-15,19H,4,10-13H2,1-3H3.
What are the key properties of 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol?
1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol is sourced from PubChem (CID 72524846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).