1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride

C15H20Cl3N — CID 139776337

IUPAC1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C=CCCN2CCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2N.ClH/c16-14-8-7-13(12-15(14)17)6-2-5-11-18-9-3-1-4-10-18;/h2,6-8,12H,1,3-5,9-11H2;1H
InChIKeyBUVYXBINBQDPND-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.30
Rot. Bonds4

About 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride

1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride (PubChem CID 139776337) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride
PubChem CID139776337
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC Name1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C=CCCN2CCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2N.ClH/c16-14-8-7-13(12-15(14)17)6-2-5-11-18-9-3-1-4-10-18;/h2,6-8,12H,1,3-5,9-11H2;1H
InChIKeyBUVYXBINBQDPND-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-4-[7-[(E)-4-piperidin-1-ylbut-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine
CID 6445981
(3E)-3-[(E)-3-(3,4-dichlorophenyl)prop-2-enylidene]-1-(3-piperidin-1-ylpropyl)pyrrolidin-2-one
CID 59881357
(E)-1-(3,4-dichlorophenyl)-4-methyl-4-piperidin-1-ylpent-1-en-3-one;hydrochloride
CID 10021574
3-(3,4-dichlorophenyl)-1-[1,1-dioxo-2-(3-piperidin-1-ylpropyl)-1,2,5-thiadiazinan-5-yl]prop-2-en-1-one
CID 66999132
1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine
CID 54267032
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine
CID 70080876
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 138460328
1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
CID 139776343
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
CID 175675430
1,3-bis[(Z)-[(Z)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea
CID 99669425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride (CID 139776337) is 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride is Cl.Clc1ccc(C=CCCN2CCCCC2)cc1Cl.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride?
The InChIKey is BUVYXBINBQDPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N.ClH/c16-14-8-7-13(12-15(14)17)6-2-5-11-18-9-3-1-4-10-18;/h2,6-8,12H,1,3-5,9-11H2;1H.
What are the key properties of 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride?
1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride has a molecular weight of 320.69 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)but-3-enyl]piperidine;hydrochloride is sourced from PubChem (CID 139776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).