2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

C8H15ClN2O — CID 58168404

IUPAC2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C8H15ClN2O/c1-10-7-3-2-4-11(6-7)8(12)5-9/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyBZUNIPCHEOPGFN-SSDOTTSWSA-N
MW190.67 g/mol
LogP0.44
Rot. Bonds2

About 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone

2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 58168404) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
PubChem CID58168404
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
SMILESCN[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C8H15ClN2O/c1-10-7-3-2-4-11(6-7)8(12)5-9/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyBZUNIPCHEOPGFN-SSDOTTSWSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.44
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

1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone (CID 58168404) is 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is CN[C@@H]1CCCN(C(=O)CCl)C1.
What is the InChIKey of 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is BZUNIPCHEOPGFN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-10-7-3-2-4-11(6-7)8(12)5-9/h7,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone?
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 190.67 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 58168404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).