(3R)-1-benzyl-3-(3-chloropropyl)piperidine

C15H22ClN — CID 97166703

IUPAC(3R)-1-benzyl-3-(3-chloropropyl)piperidine
SMILESClCCC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22ClN/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyQFGWSWOTUXPJSL-HNNXBMFYSA-N
MW251.80 g/mol
LogP3.92
Rot. Bonds5

About (3R)-1-benzyl-3-(3-chloropropyl)piperidine

(3R)-1-benzyl-3-(3-chloropropyl)piperidine (PubChem CID 97166703) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(3-chloropropyl)piperidine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(3-chloropropyl)piperidine
PubChem CID97166703
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(3R)-1-benzyl-3-(3-chloropropyl)piperidine
SMILESClCCC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22ClN/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyQFGWSWOTUXPJSL-HNNXBMFYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
(1-benzylazepan-3-yl)methanamine
CID 15718476
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
CID 77094866
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(3-chloropropyl)piperidine?
The IUPAC name of (3R)-1-benzyl-3-(3-chloropropyl)piperidine (CID 97166703) is (3R)-1-benzyl-3-(3-chloropropyl)piperidine.
What is the SMILES notation for (3R)-1-benzyl-3-(3-chloropropyl)piperidine?
The canonical SMILES for (3R)-1-benzyl-3-(3-chloropropyl)piperidine is ClCCC[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-(3-chloropropyl)piperidine?
The InChIKey is QFGWSWOTUXPJSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-10-4-8-15-9-5-11-17(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-(3-chloropropyl)piperidine?
(3R)-1-benzyl-3-(3-chloropropyl)piperidine has a molecular weight of 251.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(3-chloropropyl)piperidine is sourced from PubChem (CID 97166703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).