(2S)-2-benzyl-1-propylpiperidine

C15H23N — CID 97355928

IUPAC(2S)-2-benzyl-1-propylpiperidine
SMILESCCCN1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-2-11-16-12-7-6-10-15(16)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyZNFUQCFPEKQPHG-HNNXBMFYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-benzyl-1-propylpiperidine

(2S)-2-benzyl-1-propylpiperidine (PubChem CID 97355928) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-2-benzyl-1-propylpiperidine.

Molecular Properties

Compound Name(2S)-2-benzyl-1-propylpiperidine
PubChem CID97355928
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-2-benzyl-1-propylpiperidine
SMILESCCCN1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-2-11-16-12-7-6-10-15(16)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyZNFUQCFPEKQPHG-HNNXBMFYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
4-[(1-propylpiperidin-2-yl)methyl]benzene-1,2-diol
CID 3044552
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine
CID 56999999
2-(1-propylpiperidin-2-yl)ethyl benzoate
CID 3060654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-propylpiperidine?
The IUPAC name of (2S)-2-benzyl-1-propylpiperidine (CID 97355928) is (2S)-2-benzyl-1-propylpiperidine.
What is the SMILES notation for (2S)-2-benzyl-1-propylpiperidine?
The canonical SMILES for (2S)-2-benzyl-1-propylpiperidine is CCCN1CCCC[C@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-1-propylpiperidine?
The InChIKey is ZNFUQCFPEKQPHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-11-16-12-7-6-10-15(16)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-benzyl-1-propylpiperidine?
(2S)-2-benzyl-1-propylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-propylpiperidine is sourced from PubChem (CID 97355928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).