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

C14H20ClN — CID 6444478

IUPAC1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
SMILESC(=C/c1ccccc1)\CN1CCCCC1.Cl
InChIInChI=1S/C14H19N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,7-10H,2,5-6,11-13H2;1H/b10-7+;
InChIKeyXNEFNIJPUKYNHX-HCUGZAAXSA-N
MW237.77 g/mol
LogP3.61
Rot. Bonds3

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

1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride (PubChem CID 6444478) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
PubChem CID6444478
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
SMILESC(=C/c1ccccc1)\CN1CCCCC1.Cl
InChIInChI=1S/C14H19N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,7-10H,2,5-6,11-13H2;1H/b10-7+;
InChIKeyXNEFNIJPUKYNHX-HCUGZAAXSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride (CID 6444478) is 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride is C(=C/c1ccccc1)\CN1CCCCC1.Cl.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride?
The InChIKey is XNEFNIJPUKYNHX-HCUGZAAXSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,7-10H,2,5-6,11-13H2;1H/b10-7+;.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride?
1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride is sourced from PubChem (CID 6444478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).