2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone

C14H19ClN2O — CID 2050848

IUPAC2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
SMILESC[C@@H](c1ccccc1)N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H19ClN2O/c1-12(13-5-3-2-4-6-13)16-7-9-17(10-8-16)14(18)11-15/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeySFALRUMUWIIQMK-LBPRGKRZSA-N
MW266.77 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone

2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone (PubChem CID 2050848) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
PubChem CID2050848
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
SMILESC[C@@H](c1ccccc1)N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H19ClN2O/c1-12(13-5-3-2-4-6-13)16-7-9-17(10-8-16)14(18)11-15/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeySFALRUMUWIIQMK-LBPRGKRZSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 2050903
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
2-chloro-1-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 2757466
2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone
CID 154705178
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 45353115
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone (CID 2050848) is 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone is C[C@@H](c1ccccc1)N1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone?
The InChIKey is SFALRUMUWIIQMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-12(13-5-3-2-4-6-13)16-7-9-17(10-8-16)14(18)11-15/h2-6,12H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone?
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone has a molecular weight of 266.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 2050848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).