3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine

C13H27ClN2 — CID 107913946

IUPAC3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
SMILESCCC(Cl)CCNCCC1CCCCN1C
InChIInChI=1S/C13H27ClN2/c1-3-12(14)7-9-15-10-8-13-6-4-5-11-16(13)2/h12-13,15H,3-11H2,1-2H3
InChIKeySHUSSKVLVNEZAU-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.86
Rot. Bonds7

About 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine

3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine (PubChem CID 107913946) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
PubChem CID107913946
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
SMILESCCC(Cl)CCNCCC1CCCCN1C
InChIInChI=1S/C13H27ClN2/c1-3-12(14)7-9-15-10-8-13-6-4-5-11-16(13)2/h12-13,15H,3-11H2,1-2H3
InChIKeySHUSSKVLVNEZAU-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine (CID 107913946) is 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine is CCC(Cl)CCNCCC1CCCCN1C.
What is the InChIKey of 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine?
The InChIKey is SHUSSKVLVNEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClN2/c1-3-12(14)7-9-15-10-8-13-6-4-5-11-16(13)2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine?
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine has a molecular weight of 246.83 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 107913946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).