1,2-bis(2-chloroethyl)piperidine;hydrochloride

C9H18Cl3N — CID 57362051

IUPAC1,2-bis(2-chloroethyl)piperidine;hydrochloride
SMILESCl.ClCCC1CCCCN1CCCl
InChIInChI=1S/C9H17Cl2N.ClH/c10-5-4-9-3-1-2-7-12(9)8-6-11;/h9H,1-8H2;1H
InChIKeyKOWUDRSVPXDCRU-UHFFFAOYSA-N
MW246.61 g/mol
LogP3.13
Rot. Bonds4

About 1,2-bis(2-chloroethyl)piperidine;hydrochloride

1,2-bis(2-chloroethyl)piperidine;hydrochloride (PubChem CID 57362051) has the molecular formula C9H18Cl3N and a molecular weight of 246.61 g/mol. Its IUPAC name is 1,2-bis(2-chloroethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(2-chloroethyl)piperidine;hydrochloride
PubChem CID57362051
Molecular FormulaC9H18Cl3N
Molecular Weight246.61 g/mol
Exact Mass245.05
IUPAC Name1,2-bis(2-chloroethyl)piperidine;hydrochloride
SMILESCl.ClCCC1CCCCN1CCCl
InChIInChI=1S/C9H17Cl2N.ClH/c10-5-4-9-3-1-2-7-12(9)8-6-11;/h9H,1-8H2;1H
InChIKeyKOWUDRSVPXDCRU-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.61
LogP ≤ 53.13
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

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2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
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1-benzyl-2-(2-chloroethyl)piperidine
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1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
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CID 61407786
1-but-3-ynyl-2-propylpiperidine
CID 83061576
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
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2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
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2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloroethyl)piperidine;hydrochloride?
The IUPAC name of 1,2-bis(2-chloroethyl)piperidine;hydrochloride (CID 57362051) is 1,2-bis(2-chloroethyl)piperidine;hydrochloride.
What is the SMILES notation for 1,2-bis(2-chloroethyl)piperidine;hydrochloride?
The canonical SMILES for 1,2-bis(2-chloroethyl)piperidine;hydrochloride is Cl.ClCCC1CCCCN1CCCl.
What is the InChIKey of 1,2-bis(2-chloroethyl)piperidine;hydrochloride?
The InChIKey is KOWUDRSVPXDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2N.ClH/c10-5-4-9-3-1-2-7-12(9)8-6-11;/h9H,1-8H2;1H.
What are the key properties of 1,2-bis(2-chloroethyl)piperidine;hydrochloride?
1,2-bis(2-chloroethyl)piperidine;hydrochloride has a molecular weight of 246.61 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloroethyl)piperidine;hydrochloride is sourced from PubChem (CID 57362051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).