1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine

C19H38N2O — CID 171598568

IUPAC1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCOC1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)9-14-22-19-7-5-18(6-8-19)15-20-10-12-21(13-11-20)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyXRQZRJSFDXYDBI-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.63
Rot. Bonds7

About 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine

1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 171598568) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
PubChem CID171598568
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCOC1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)9-14-22-19-7-5-18(6-8-19)15-20-10-12-21(13-11-20)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyXRQZRJSFDXYDBI-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine (CID 171598568) is 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine is CC(C)CCOC1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is XRQZRJSFDXYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)9-14-22-19-7-5-18(6-8-19)15-20-10-12-21(13-11-20)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine?
1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 310.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171598568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).