(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone

C14H19ClN2O — CID 82246999

IUPAC(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C14H19ClN2O/c1-10-8-17(14(2,3)9-16-10)13(18)11-5-4-6-12(15)7-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMCHGTJIFAGEJFU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds1

About (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone

(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone (PubChem CID 82246999) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
PubChem CID82246999
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C14H19ClN2O/c1-10-8-17(14(2,3)9-16-10)13(18)11-5-4-6-12(15)7-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMCHGTJIFAGEJFU-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82247181
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(2,3,4-trifluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82249866
[3-(3-chlorobenzoyl)-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-(3-chlorophenyl)methanone
CID 134115730
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
CID 115269961
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 115266990
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone (CID 82246999) is (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(Cl)c2)C(C)(C)CN1.
What is the InChIKey of (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is MCHGTJIFAGEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-8-17(14(2,3)9-16-10)13(18)11-5-4-6-12(15)7-11/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).