(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone

C15H22N2O3 — CID 60712175

IUPAC(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-6-16-7-9-17(10-8-16)15(19)13-11-12(20-2)4-5-14(13)18/h4-5,11,18H,3,6-10H2,1-2H3
InChIKeyTZGNVDBCGURSCX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds4

About (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone

(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 60712175) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID60712175
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-6-16-7-9-17(10-8-16)15(19)13-11-12(20-2)4-5-14(13)18/h4-5,11,18H,3,6-10H2,1-2H3
InChIKeyTZGNVDBCGURSCX-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
(5-chloro-2-hydroxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30953364
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone (CID 60712175) is (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(OC)ccc2O)CC1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is TZGNVDBCGURSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-6-16-7-9-17(10-8-16)15(19)13-11-12(20-2)4-5-14(13)18/h4-5,11,18H,3,6-10H2,1-2H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 60712175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).