1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride

C19H24ClN — CID 57402668

IUPAC1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride
SMILESC/C(=C\CN1CCCCC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C19H23N.ClH/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18;/h3-4,7-11,15H,2,5-6,12-14H2,1H3;1H/b16-11+;
InChIKeySZAPCHIVNBNLDU-YFMOEUEHSA-N
MW301.86 g/mol
LogP5.15
Rot. Bonds3

About 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride

1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride (PubChem CID 57402668) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride
PubChem CID57402668
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride
SMILESC/C(=C\CN1CCCCC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C19H23N.ClH/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18;/h3-4,7-11,15H,2,5-6,12-14H2,1H3;1H/b16-11+;
InChIKeySZAPCHIVNBNLDU-YFMOEUEHSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyproheptadine
CID 2913
Terbinafine
CID 1549008
Butenafine
CID 2484
Cyproheptadine Hydrochloride
CID 13770
Setiptiline
CID 5205
Naftifine
CID 47641
Terbinafine Hydrochloride
CID 5282481
Xaliproden
CID 128919
Butenafine Hydrochloride
CID 443867
Naftifine Hydrochloride
CID 5281098
Diphemanil
CID 6127
Xaliproden Hydrochloride
CID 128918

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride?
The IUPAC name of 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride (CID 57402668) is 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride is C/C(=C\CN1CCCCC1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride?
The InChIKey is SZAPCHIVNBNLDU-YFMOEUEHSA-N. The full InChI is InChI=1S/C19H23N.ClH/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18;/h3-4,7-11,15H,2,5-6,12-14H2,1H3;1H/b16-11+;.
What are the key properties of 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride?
1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-naphthalen-2-ylbut-2-enyl]piperidine;hydrochloride is sourced from PubChem (CID 57402668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).