2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C23H39N3O2 — CID 30733578

IUPAC2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)C[C@@H]1CCO
InChIInChI=1S/C23H39N3O2/c1-4-28-23-8-6-5-7-20(23)17-25-14-15-26(18-22(25)11-16-27)21-9-12-24(13-10-21)19(2)3/h5-8,19,21-22,27H,4,9-18H2,1-3H3/t22-/m0/s1
InChIKeyRBZDTXMMXVXLBT-QFIPXVFZSA-N
MW389.58 g/mol
LogP2.83
Rot. Bonds8

About 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 30733578) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID30733578
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)C[C@@H]1CCO
InChIInChI=1S/C23H39N3O2/c1-4-28-23-8-6-5-7-20(23)17-25-14-15-26(18-22(25)11-16-27)21-9-12-24(13-10-21)19(2)3/h5-8,19,21-22,27H,4,9-18H2,1-3H3/t22-/m0/s1
InChIKeyRBZDTXMMXVXLBT-QFIPXVFZSA-N
XLogP2.83
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
CID 98586511
2-[4-(1,4-dithiepan-6-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228412
2-[4-[(2-chlorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228561
2-[(2R)-4-[(2,6-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98572077
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 51627130
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51634123
ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 51904944
2-[(2S)-4-(3-chloro-2-pyridinyl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95861594
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51635269
2-[(2R)-4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586619
2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 56903348

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 30733578) is 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CCOc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is RBZDTXMMXVXLBT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-4-28-23-8-6-5-7-20(23)17-25-14-15-26(18-22(25)11-16-27)21-9-12-24(13-10-21)19(2)3/h5-8,19,21-22,27H,4,9-18H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 389.58 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 30733578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).