3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one

C16H30N2O — CID 64737560

IUPAC3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCCCN1CCN(CC2C(=O)CC(C)CC2C)CC1
InChIInChI=1S/C16H30N2O/c1-4-5-17-6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,4-12H2,1-3H3
InChIKeyYNTDAUCWMDMVBD-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

About 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one

3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one (PubChem CID 64737560) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one
PubChem CID64737560
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCCCN1CCN(CC2C(=O)CC(C)CC2C)CC1
InChIInChI=1S/C16H30N2O/c1-4-5-17-6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,4-12H2,1-3H3
InChIKeyYNTDAUCWMDMVBD-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one (CID 64737560) is 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one is CCCN1CCN(CC2C(=O)CC(C)CC2C)CC1.
What is the InChIKey of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is YNTDAUCWMDMVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-17-6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one?
3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 64737560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).