[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone

C15H22N2O2 — CID 82090858

IUPAC[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C15H22N2O2/c1-13-5-2-3-6-14(13)15(19)17-10-8-16(9-11-17)7-4-12-18/h2-3,5-6,18H,4,7-12H2,1H3
InChIKeyFQOWLRASFPNBEE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.14
Rot. Bonds4

About [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 82090858) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID82090858
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C15H22N2O2/c1-13-5-2-3-6-14(13)15(19)17-10-8-16(9-11-17)7-4-12-18/h2-3,5-6,18H,4,7-12H2,1H3
InChIKeyFQOWLRASFPNBEE-UHFFFAOYSA-N
XLogP1.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110645616
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone
CID 5057731
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 80710685
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 60712432

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 82090858) is [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(CCCO)CC1.
What is the InChIKey of [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is FQOWLRASFPNBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-5-2-3-6-14(13)15(19)17-10-8-16(9-11-17)7-4-12-18/h2-3,5-6,18H,4,7-12H2,1H3.
What are the key properties of [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 82090858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).