N-(2-chloroethyl)-1-methylpiperidin-3-amine

C8H17ClN2 — CID 115214671

IUPACN-(2-chloroethyl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCCCl)C1
InChIInChI=1S/C8H17ClN2/c1-11-6-2-3-8(7-11)10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyIQLGVWDWALGCJF-UHFFFAOYSA-N
MW176.69 g/mol
LogP0.91
Rot. Bonds3

About N-(2-chloroethyl)-1-methylpiperidin-3-amine

N-(2-chloroethyl)-1-methylpiperidin-3-amine (PubChem CID 115214671) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-methylpiperidin-3-amine
PubChem CID115214671
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC NameN-(2-chloroethyl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCCCl)C1
InChIInChI=1S/C8H17ClN2/c1-11-6-2-3-8(7-11)10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyIQLGVWDWALGCJF-UHFFFAOYSA-N
XLogP0.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
4-[(1-methylpiperidin-3-yl)amino]butanenitrile
CID 115231510
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243
1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N-(2-chloroethyl)cyclooctanamine
CID 18316363

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(2-chloroethyl)-1-methylpiperidin-3-amine (CID 115214671) is N-(2-chloroethyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(2-chloroethyl)-1-methylpiperidin-3-amine is CN1CCCC(NCCCl)C1.
What is the InChIKey of N-(2-chloroethyl)-1-methylpiperidin-3-amine?
The InChIKey is IQLGVWDWALGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-11-6-2-3-8(7-11)10-5-4-9/h8,10H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-1-methylpiperidin-3-amine?
N-(2-chloroethyl)-1-methylpiperidin-3-amine has a molecular weight of 176.69 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 115214671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).