5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine

C19H38N2 — CID 64937815

IUPAC5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC2CCC(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-6-16(5)18-13-21(19(11-20-18)14(2)3)12-17-9-7-15(4)8-10-17/h14-20H,6-13H2,1-5H3
InChIKeyZEFJQNAWGWQOHZ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds5

About 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine

5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64937815) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64937815
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC2CCC(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-6-16(5)18-13-21(19(11-20-18)14(2)3)12-17-9-7-15(4)8-10-17/h14-20H,6-13H2,1-5H3
InChIKeyZEFJQNAWGWQOHZ-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
5-methyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415594
5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197
3-butan-2-yl-1-[(4-methylcyclohexyl)methyl]piperazine
CID 64954197
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
1-(cyclobutylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937495
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine (CID 64937815) is 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine is CCC(C)C1CN(CC2CCC(C)CC2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is ZEFJQNAWGWQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-16(5)18-13-21(19(11-20-18)14(2)3)12-17-9-7-15(4)8-10-17/h14-20H,6-13H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine?
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).