2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C24H41N3O2 — CID 45204394

IUPAC2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CCC(C)C)C(CCO)C2)cc1CN1CCCC1
InChIInChI=1S/C24H41N3O2/c1-20(2)8-12-27-14-13-26(19-23(27)9-15-28)17-21-6-7-24(29-3)22(16-21)18-25-10-4-5-11-25/h6-7,16,20,23,28H,4-5,8-15,17-19H2,1-3H3
InChIKeyVMQPXCBROGBRDU-UHFFFAOYSA-N
MW403.61 g/mol
LogP3.21
Rot. Bonds10

About 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45204394) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45204394
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CCC(C)C)C(CCO)C2)cc1CN1CCCC1
InChIInChI=1S/C24H41N3O2/c1-20(2)8-12-27-14-13-26(19-23(27)9-15-28)17-21-6-7-24(29-3)22(16-21)18-25-10-4-5-11-25/h6-7,16,20,23,28H,4-5,8-15,17-19H2,1-3H3
InChIKeyVMQPXCBROGBRDU-UHFFFAOYSA-N
XLogP3.21
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
2-[1-(3-methylbutyl)-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45175451
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 29029320
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 29021777
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 98583956
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 51907398
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218
2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635489
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
2-[4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45204394) is 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(CCC(C)C)C(CCO)C2)cc1CN1CCCC1.
What is the InChIKey of 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is VMQPXCBROGBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-20(2)8-12-27-14-13-26(19-23(27)9-15-28)17-21-6-7-24(29-3)22(16-21)18-25-10-4-5-11-25/h6-7,16,20,23,28H,4-5,8-15,17-19H2,1-3H3.
What are the key properties of 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 403.61 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45204394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).