1-[(E)-5-chloropent-4-en-2-ynyl]piperidine

C10H14ClN — CID 101342203

IUPAC1-[(E)-5-chloropent-4-en-2-ynyl]piperidine
SMILESCl/C=C/C#CCN1CCCCC1
InChIInChI=1S/C10H14ClN/c11-7-3-1-4-8-12-9-5-2-6-10-12/h3,7H,2,5-6,8-10H2/b7-3+
InChIKeyNVDAXDCCTQRVCH-XVNBXDOJSA-N
MW183.68 g/mol
LogP2.23
Rot. Bonds1

About 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine

1-[(E)-5-chloropent-4-en-2-ynyl]piperidine (PubChem CID 101342203) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[(E)-5-chloropent-4-en-2-ynyl]piperidine
PubChem CID101342203
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-[(E)-5-chloropent-4-en-2-ynyl]piperidine
SMILESCl/C=C/C#CCN1CCCCC1
InChIInChI=1S/C10H14ClN/c11-7-3-1-4-8-12-9-5-2-6-10-12/h3,7H,2,5-6,8-10H2/b7-3+
InChIKeyNVDAXDCCTQRVCH-XVNBXDOJSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol
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4-pyrrolidin-1-ylbut-2-ynamide
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5-pyrrolidin-1-ylpent-3-yn-2-ol
CID 3480981
1-[3-(3,5-dichlorophenyl)prop-2-ynyl]pyrrolidine
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1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine
CID 160625722
2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
CID 71792630
5-piperidin-1-ylpent-2-yn-1-ol
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oxalic acid;1-prop-2-ynylpiperidine
CID 71318911
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine?
The IUPAC name of 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine (CID 101342203) is 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine.
What is the SMILES notation for 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine?
The canonical SMILES for 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine is Cl/C=C/C#CCN1CCCCC1.
What is the InChIKey of 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine?
The InChIKey is NVDAXDCCTQRVCH-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H14ClN/c11-7-3-1-4-8-12-9-5-2-6-10-12/h3,7H,2,5-6,8-10H2/b7-3+.
What are the key properties of 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine?
1-[(E)-5-chloropent-4-en-2-ynyl]piperidine has a molecular weight of 183.68 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-chloropent-4-en-2-ynyl]piperidine is sourced from PubChem (CID 101342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).