(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone

C14H19ClN2O — CID 82883411

IUPAC(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-7-6-16-9-14(17,2)3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyUFRQYNNIINZNDP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds1

About (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone

(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 82883411) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID82883411
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-7-6-16-9-14(17,2)3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyUFRQYNNIINZNDP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461126
(2-chloro-4-fluorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461519
(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 65462948
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461122
(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677145
(4-chloro-1H-pyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462115
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
(4-chlorophenyl)-(2,2-dimethyl-1,4-diazepan-1-yl)methanone
CID 82247007
(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 82883104
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 103807450

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone (CID 82883411) is (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone is Cc1ccc(Cl)cc1C(=O)N1CCNCC1(C)C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is UFRQYNNIINZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-7-6-16-9-14(17,2)3/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82883411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).