4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine

C8H13Cl2N — CID 107900967

IUPAC4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
SMILESCl/C=C/CN1CCC(Cl)CC1
InChIInChI=1S/C8H13Cl2N/c9-4-1-5-11-6-2-8(10)3-7-11/h1,4,8H,2-3,5-7H2/b4-1+
InChIKeyMQPNTVZZAATFDQ-DAFODLJHSA-N
MW194.10 g/mol
LogP2.44
Rot. Bonds2

About 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine

4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine (PubChem CID 107900967) has the molecular formula C8H13Cl2N and a molecular weight of 194.10 g/mol. Its IUPAC name is 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
PubChem CID107900967
Molecular FormulaC8H13Cl2N
Molecular Weight194.10 g/mol
Exact Mass193.04
IUPAC Name4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
SMILESCl/C=C/CN1CCC(Cl)CC1
InChIInChI=1S/C8H13Cl2N/c9-4-1-5-11-6-2-8(10)3-7-11/h1,4,8H,2-3,5-7H2/b4-1+
InChIKeyMQPNTVZZAATFDQ-DAFODLJHSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.44
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

[1-[(E)-3-chloroprop-2-enyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134055065
1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
CID 103599164
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
4-[(E)-3-chloroprop-2-enyl]-7-methyl-1,4-thiazepane
CID 131245452
1-[(E)-3-chloroprop-2-enyl]piperidin-4-one
CID 24710215
(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
CID 131231907
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536
4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide
CID 131233951
1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
CID 114511079
4-[(E)-3-chloroprop-2-enyl]-1,4-thiazepane
CID 131247978
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine?
The IUPAC name of 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine (CID 107900967) is 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine.
What is the SMILES notation for 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine?
The canonical SMILES for 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine is Cl/C=C/CN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine?
The InChIKey is MQPNTVZZAATFDQ-DAFODLJHSA-N. The full InChI is InChI=1S/C8H13Cl2N/c9-4-1-5-11-6-2-8(10)3-7-11/h1,4,8H,2-3,5-7H2/b4-1+.
What are the key properties of 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine?
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine has a molecular weight of 194.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine is sourced from PubChem (CID 107900967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).