methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride

C10H19Cl2NO2 — CID 71757585

IUPACmethyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(CCCCl)CC1.Cl
InChIInChI=1S/C10H18ClNO2.ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;/h9H,2-8H2,1H3;1H
InChIKeySTRWIQJIVWLNKX-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.92
Rot. Bonds4

About methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride

methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 71757585) has the molecular formula C10H19Cl2NO2 and a molecular weight of 256.17 g/mol. Its IUPAC name is methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride
PubChem CID71757585
Molecular FormulaC10H19Cl2NO2
Molecular Weight256.17 g/mol
Exact Mass255.08
IUPAC Namemethyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(CCCCl)CC1.Cl
InChIInChI=1S/C10H18ClNO2.ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;/h9H,2-8H2,1H3;1H
InChIKeySTRWIQJIVWLNKX-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(2-chloroethyl)piperidine-4-carboxylate
CID 61287119
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Ethyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 3333874
Isonipecotic acid, N-(5-chlorovaleryl)-, ethyl ester
CID 28727855
Isonipecotic acid, N-(5-chlorovaleryl)-, propyl ester
CID 91725743
Isonipecotic acid, N-(5-chlorovaleryl)-, butyl ester
CID 91728654
Isonipecotic acid, N-(5-chlorovaleryl)-, isobutyl ester
CID 91728655
Isonipecotic acid, N-(3-chloropropionyl)-, butyl ester
CID 91737622
Isonipecotic acid, N-(3-chloropropionyl)-, isobutyl ester
CID 91737623
Isonipecotic acid, N-(3-chloropropionyl)-, pentyl ester
CID 91738831
Isonipecotic acid, N-(3-chloropropionyl)-, isohexyl ester
CID 91739975

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride (CID 71757585) is methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCN(CCCCl)CC1.Cl.
What is the InChIKey of methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is STRWIQJIVWLNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2.ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;/h9H,2-8H2,1H3;1H.
What are the key properties of methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride?
methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 256.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloropropyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 71757585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).