4-chloro-1-prop-1-en-2-ylpiperidine

C8H14ClN — CID 11367163

IUPAC4-chloro-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(Cl)CC1
InChIInChI=1S/C8H14ClN/c1-7(2)10-5-3-8(9)4-6-10/h8H,1,3-6H2,2H3
InChIKeyALHAQAQXJGIMDQ-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-1-prop-1-en-2-ylpiperidine

4-chloro-1-prop-1-en-2-ylpiperidine (PubChem CID 11367163) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 4-chloro-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-chloro-1-prop-1-en-2-ylpiperidine
PubChem CID11367163
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name4-chloro-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(Cl)CC1
InChIInChI=1S/C8H14ClN/c1-7(2)10-5-3-8(9)4-6-10/h8H,1,3-6H2,2H3
InChIKeyALHAQAQXJGIMDQ-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460
4-piperidin-1-yl-1-prop-1-en-2-ylpiperidine
CID 143020701
1-prop-1-en-2-ylpiperidine
CID 12570653
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
(1-prop-1-en-2-ylpiperidin-4-yl)methanamine
CID 154040818
N-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)piperidin-4-amine
CID 178001600
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 4-chloro-1-prop-1-en-2-ylpiperidine (CID 11367163) is 4-chloro-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 4-chloro-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 4-chloro-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-prop-1-en-2-ylpiperidine?
The InChIKey is ALHAQAQXJGIMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-7(2)10-5-3-8(9)4-6-10/h8H,1,3-6H2,2H3.
What are the key properties of 4-chloro-1-prop-1-en-2-ylpiperidine?
4-chloro-1-prop-1-en-2-ylpiperidine has a molecular weight of 159.66 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 11367163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).