(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone

C14H26N2O — CID 79507271

IUPAC(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCNC(C)(C)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h11-12,15H,4-10H2,1-3H3
InChIKeyLCHYQKIOWNITGY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone

(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone (PubChem CID 79507271) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
PubChem CID79507271
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCNC(C)(C)C2)CC1
InChIInChI=1S/C14H26N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h11-12,15H,4-10H2,1-3H3
InChIKeyLCHYQKIOWNITGY-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone (CID 79507271) is (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCNC(C)(C)C2)CC1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is LCHYQKIOWNITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-4-6-12(7-5-11)13(17)16-9-8-15-14(2,3)10-16/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone?
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 79507271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).