2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

C19H30N2O3 — CID 98567856

IUPAC2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(CC3CC3)C[C@H]2CCO)cc(OC)c1
InChIInChI=1S/C19H30N2O3/c1-23-18-9-16(10-19(11-18)24-2)13-21-7-6-20(12-15-3-4-15)14-17(21)5-8-22/h9-11,15,17,22H,3-8,12-14H2,1-2H3/t17-/m1/s1
InChIKeyWNVXTUXCKWQQPF-QGZVFWFLSA-N
MW334.46 g/mol
LogP1.98
Rot. Bonds8

About 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 98567856) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID98567856
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(CC3CC3)C[C@H]2CCO)cc(OC)c1
InChIInChI=1S/C19H30N2O3/c1-23-18-9-16(10-19(11-18)24-2)13-21-7-6-20(12-15-3-4-15)14-17(21)5-8-22/h9-11,15,17,22H,3-8,12-14H2,1-2H3/t17-/m1/s1
InChIKeyWNVXTUXCKWQQPF-QGZVFWFLSA-N
XLogP1.98
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 98587999
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45212256
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51901673
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 51906840
2-chloro-4-[[(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 98588325
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45238988
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol
CID 74558489
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 98579803

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 98567856) is 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cc(CN2CCN(CC3CC3)C[C@H]2CCO)cc(OC)c1.
What is the InChIKey of 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is WNVXTUXCKWQQPF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-23-18-9-16(10-19(11-18)24-2)13-21-7-6-20(12-15-3-4-15)14-17(21)5-8-22/h9-11,15,17,22H,3-8,12-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 334.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98567856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).