4-(3-chloropropyl)-1-methylpiperidine;hydrochloride

C9H19Cl2N — CID 154791310

IUPAC4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCC(CCCCl)CC1.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-11-7-4-9(5-8-11)3-2-6-10;/h9H,2-8H2,1H3;1H
InChIKeyQXHJFLUAKAGQBG-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.77
Rot. Bonds3

About 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride

4-(3-chloropropyl)-1-methylpiperidine;hydrochloride (PubChem CID 154791310) has the molecular formula C9H19Cl2N and a molecular weight of 212.16 g/mol. Its IUPAC name is 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
PubChem CID154791310
Molecular FormulaC9H19Cl2N
Molecular Weight212.16 g/mol
Exact Mass211.09
IUPAC Name4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCC(CCCCl)CC1.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-11-7-4-9(5-8-11)3-2-6-10;/h9H,2-8H2,1H3;1H
InChIKeyQXHJFLUAKAGQBG-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 52.77
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

4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
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CID 145242448
4-(3-iodopropyl)-1-methylpiperidine
CID 18723182
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
2-(3-chloropropyl)-1-methylazetidine
CID 176925316
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride?
The IUPAC name of 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride (CID 154791310) is 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride is CN1CCC(CCCCl)CC1.Cl.
What is the InChIKey of 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride?
The InChIKey is QXHJFLUAKAGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN.ClH/c1-11-7-4-9(5-8-11)3-2-6-10;/h9H,2-8H2,1H3;1H.
What are the key properties of 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride?
4-(3-chloropropyl)-1-methylpiperidine;hydrochloride has a molecular weight of 212.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 154791310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).