2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one

C18H32N2O — CID 62613397

IUPAC2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C18H32N2O/c1-2-3-15-6-7-18(21)17(12-15)14-20-10-8-19(9-11-20)13-16-4-5-16/h15-17H,2-14H2,1H3
InChIKeyKOIZLSQNIGWTBJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.80
Rot. Bonds6

About 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one (PubChem CID 62613397) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
PubChem CID62613397
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C18H32N2O/c1-2-3-15-6-7-18(21)17(12-15)14-20-10-8-19(9-11-20)13-16-4-5-16/h15-17H,2-14H2,1H3
InChIKeyKOIZLSQNIGWTBJ-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one (CID 62613397) is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CCN(CC3CC3)CC2)C1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one?
The InChIKey is KOIZLSQNIGWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-3-15-6-7-18(21)17(12-15)14-20-10-8-19(9-11-20)13-16-4-5-16/h15-17H,2-14H2,1H3.
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one?
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one has a molecular weight of 292.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62613397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).