1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol

C16H27N3O2 — CID 65449633

IUPAC1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccccc1CN(C)CC(O)CN1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-18(11-14-5-3-4-6-16(14)21-2)12-15(20)13-19-9-7-17-8-10-19/h3-6,15,17,20H,7-13H2,1-2H3
InChIKeyNEBRWEFSZMQUIU-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.39
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol

1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449633) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65449633
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCOc1ccccc1CN(C)CC(O)CN1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-18(11-14-5-3-4-6-16(14)21-2)12-15(20)13-19-9-7-17-8-10-19/h3-6,15,17,20H,7-13H2,1-2H3
InChIKeyNEBRWEFSZMQUIU-UHFFFAOYSA-N
XLogP0.39
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449817
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-[(2-fluorophenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904922
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
CID 159443528

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol (CID 65449633) is 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol is COc1ccccc1CN(C)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is NEBRWEFSZMQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(11-14-5-3-4-6-16(14)21-2)12-15(20)13-19-9-7-17-8-10-19/h3-6,15,17,20H,7-13H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol?
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).