1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine

C15H30N2O — CID 170569555

IUPAC1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
SMILESCOC1CCC(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-10-12-17(13-11-16)9-3-4-14-5-7-15(18-2)8-6-14/h14-15H,3-13H2,1-2H3
InChIKeyQKESRMSPGQDRJP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine

1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine (PubChem CID 170569555) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
PubChem CID170569555
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
SMILESCOC1CCC(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-10-12-17(13-11-16)9-3-4-14-5-7-15(18-2)8-6-14/h14-15H,3-13H2,1-2H3
InChIKeyQKESRMSPGQDRJP-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine (CID 170569555) is 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine is COC1CCC(CCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine?
The InChIKey is QKESRMSPGQDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-16-10-12-17(13-11-16)9-3-4-14-5-7-15(18-2)8-6-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine?
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170569555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).