(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone

C18H26N2O2 — CID 24781527

IUPAC(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
SMILESCC(C)C(O)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)17(21)14-3-5-15(6-4-14)18(22)20-11-9-19(10-12-20)16-7-8-16/h3-6,13,16-17,21H,7-12H2,1-2H3
InChIKeyOHCVMBSPOWYASO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds4

About (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone (PubChem CID 24781527) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
PubChem CID24781527
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
SMILESCC(C)C(O)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)17(21)14-3-5-15(6-4-14)18(22)20-11-9-19(10-12-20)16-7-8-16/h3-6,13,16-17,21H,7-12H2,1-2H3
InChIKeyOHCVMBSPOWYASO-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone (CID 24781527) is (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone is CC(C)C(O)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone?
The InChIKey is OHCVMBSPOWYASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)17(21)14-3-5-15(6-4-14)18(22)20-11-9-19(10-12-20)16-7-8-16/h3-6,13,16-17,21H,7-12H2,1-2H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 24781527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).