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

C15H23N — CID 71407726

IUPAC(2S)-1-benzyl-2-propylpiperidine
SMILESCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3/t15-/m0/s1
InChIKeyXDFBYVHAQLXSTC-HNNXBMFYSA-N
MW217.36 g/mol
LogP3.84
Rot. Bonds4

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

(2S)-1-benzyl-2-propylpiperidine (PubChem CID 71407726) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-1-benzyl-2-propylpiperidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-propylpiperidine
PubChem CID71407726
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-1-benzyl-2-propylpiperidine
SMILESCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3/t15-/m0/s1
InChIKeyXDFBYVHAQLXSTC-HNNXBMFYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-propylpiperidine?
The IUPAC name of (2S)-1-benzyl-2-propylpiperidine (CID 71407726) is (2S)-1-benzyl-2-propylpiperidine.
What is the SMILES notation for (2S)-1-benzyl-2-propylpiperidine?
The canonical SMILES for (2S)-1-benzyl-2-propylpiperidine is CCC[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-propylpiperidine?
The InChIKey is XDFBYVHAQLXSTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-8-15-11-6-7-12-16(15)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-propylpiperidine?
(2S)-1-benzyl-2-propylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-propylpiperidine is sourced from PubChem (CID 71407726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).