(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride

C8H16ClN — CID 73425532

IUPAC(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride
SMILESC/C=C/[C@@H]1CCCCN1.Cl
InChIInChI=1S/C8H15N.ClH/c1-2-5-8-6-3-4-7-9-8;/h2,5,8-9H,3-4,6-7H2,1H3;1H/b5-2+;/t8-;/m1./s1
InChIKeyZQCDNQQWJSUKBD-ADZSTRNMSA-N
MW161.68 g/mol
LogP2.13
Rot. Bonds1

About (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride

(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride (PubChem CID 73425532) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride
PubChem CID73425532
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride
SMILESC/C=C/[C@@H]1CCCCN1.Cl
InChIInChI=1S/C8H15N.ClH/c1-2-5-8-6-3-4-7-9-8;/h2,5,8-9H,3-4,6-7H2,1H3;1H/b5-2+;/t8-;/m1./s1
InChIKeyZQCDNQQWJSUKBD-ADZSTRNMSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride?
The IUPAC name of (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride (CID 73425532) is (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride?
The canonical SMILES for (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride is C/C=C/[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride?
The InChIKey is ZQCDNQQWJSUKBD-ADZSTRNMSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-2-5-8-6-3-4-7-9-8;/h2,5,8-9H,3-4,6-7H2,1H3;1H/b5-2+;/t8-;/m1./s1.
What are the key properties of (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride?
(2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-prop-1-enyl]piperidine;hydrochloride is sourced from PubChem (CID 73425532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).