3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine

C15H30N2O — CID 165137220

IUPAC3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
SMILESCC1CN(CC2CCC(OC(C)C)CC2)CCN1
InChIInChI=1S/C15H30N2O/c1-12(2)18-15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h12-16H,4-11H2,1-3H3
InChIKeyNCLXPBLQSONCAH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds4

About 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine

3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine (PubChem CID 165137220) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
PubChem CID165137220
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
SMILESCC1CN(CC2CCC(OC(C)C)CC2)CCN1
InChIInChI=1S/C15H30N2O/c1-12(2)18-15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h12-16H,4-11H2,1-3H3
InChIKeyNCLXPBLQSONCAH-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine (CID 165137220) is 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine is CC1CN(CC2CCC(OC(C)C)CC2)CCN1.
What is the InChIKey of 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine?
The InChIKey is NCLXPBLQSONCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)18-15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine?
3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine is sourced from PubChem (CID 165137220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).