1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride

C14H21Cl2N — CID 67656037

IUPAC1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
SMILESCl.ClC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20ClN.ClH/c15-14(13-7-3-1-4-8-13)9-12-16-10-5-2-6-11-16;/h1,3-4,7-8,14H,2,5-6,9-12H2;1H
InChIKeyVKVCHCVZHZATNV-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride

1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride (PubChem CID 67656037) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
PubChem CID67656037
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
SMILESCl.ClC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20ClN.ClH/c15-14(13-7-3-1-4-8-13)9-12-16-10-5-2-6-11-16;/h1,3-4,7-8,14H,2,5-6,9-12H2;1H
InChIKeyVKVCHCVZHZATNV-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.26
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-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
1-(6,6-diphenylhexyl)piperidine
CID 161365973
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
CID 71503885
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride?
The IUPAC name of 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride (CID 67656037) is 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride is Cl.ClC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride?
The InChIKey is VKVCHCVZHZATNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN.ClH/c15-14(13-7-3-1-4-8-13)9-12-16-10-5-2-6-11-16;/h1,3-4,7-8,14H,2,5-6,9-12H2;1H.
What are the key properties of 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride?
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride has a molecular weight of 274.23 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 67656037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).