1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

C17H24N2O2 — CID 54358620

IUPAC1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCC(O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)7-6-16(20)15-12-14-4-2-3-5-17(14)21-13-15/h2-5,12,16,20H,6-11,13H2,1H3
InChIKeyUKWUSCAJIWKQQQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.46
Rot. Bonds4

About 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 54358620) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID54358620
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCC(O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)7-6-16(20)15-12-14-4-2-3-5-17(14)21-13-15/h2-5,12,16,20H,6-11,13H2,1H3
InChIKeyUKWUSCAJIWKQQQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-chromen-3-yl)ethanol
CID 11389708
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
CID 55160022
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
1-acetyl-4-(2H-chromen-3-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 127245431

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 54358620) is 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(CCC(O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is UKWUSCAJIWKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-8-10-19(11-9-18)7-6-16(20)15-12-14-4-2-3-5-17(14)21-13-15/h2-5,12,16,20H,6-11,13H2,1H3.
What are the key properties of 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 54358620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).