4-(chloromethyl)-1-(3-phenylpropyl)piperidine

C15H22ClN — CID 55183322

IUPAC4-(chloromethyl)-1-(3-phenylpropyl)piperidine
SMILESClCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H22ClN/c16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyYPAAAZLOUIQXRB-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.57
Rot. Bonds5

About 4-(chloromethyl)-1-(3-phenylpropyl)piperidine

4-(chloromethyl)-1-(3-phenylpropyl)piperidine (PubChem CID 55183322) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-phenylpropyl)piperidine
PubChem CID55183322
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name4-(chloromethyl)-1-(3-phenylpropyl)piperidine
SMILESClCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H22ClN/c16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyYPAAAZLOUIQXRB-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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

4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
CID 142596902
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
1,4-bis(2-phenylethyl)piperidine
CID 86059939
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-(chloromethyl)-1-(3-phenylpropyl)piperidine (CID 55183322) is 4-(chloromethyl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-(chloromethyl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-(chloromethyl)-1-(3-phenylpropyl)piperidine is ClCC1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(chloromethyl)-1-(3-phenylpropyl)piperidine?
The InChIKey is YPAAAZLOUIQXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2.
What are the key properties of 4-(chloromethyl)-1-(3-phenylpropyl)piperidine?
4-(chloromethyl)-1-(3-phenylpropyl)piperidine has a molecular weight of 251.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 55183322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).