1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol

C16H25NO — CID 146513963

IUPAC1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
SMILESCCC(O)C1CCC(C)CN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(18)15-10-9-13(2)11-17(15)12-14-7-5-4-6-8-14/h4-8,13,15-16,18H,3,9-12H2,1-2H3
InChIKeyZIVYTVNRHFKIQN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds4

About 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol

1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol (PubChem CID 146513963) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
PubChem CID146513963
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
SMILESCCC(O)C1CCC(C)CN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(18)15-10-9-13(2)11-17(15)12-14-7-5-4-6-8-14/h4-8,13,15-16,18H,3,9-12H2,1-2H3
InChIKeyZIVYTVNRHFKIQN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine
CID 158286419
1-benzyl-2,5-dimethylpiperidine
CID 73200484
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-(4-benzyl-6-methylmorpholin-3-yl)ethanol
CID 123352887
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56649709
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol?
The IUPAC name of 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol (CID 146513963) is 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol is CCC(O)C1CCC(C)CN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol?
The InChIKey is ZIVYTVNRHFKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(18)15-10-9-13(2)11-17(15)12-14-7-5-4-6-8-14/h4-8,13,15-16,18H,3,9-12H2,1-2H3.
What are the key properties of 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol?
1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol is sourced from PubChem (CID 146513963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).