2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C28H41N3O — CID 51622956

IUPAC2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1
InChIInChI=1S/C28H41N3O/c1-22(2)30-14-11-26(12-15-30)31-17-16-29(21-27(31)13-18-32)20-24-8-6-9-25(19-24)28-10-5-4-7-23(28)3/h4-10,19,22,26-27,32H,11-18,20-21H2,1-3H3/t27-/m1/s1
InChIKeyCJGWBPHTQFCYQT-HHHXNRCGSA-N
MW435.66 g/mol
LogP4.40
Rot. Bonds7

About 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 51622956) has the molecular formula C28H41N3O and a molecular weight of 435.66 g/mol. Its IUPAC name is 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID51622956
Molecular FormulaC28H41N3O
Molecular Weight435.66 g/mol
Exact Mass435.32
IUPAC Name2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1ccccc1-c1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1
InChIInChI=1S/C28H41N3O/c1-22(2)30-14-11-26(12-15-30)31-17-16-29(21-27(31)13-18-32)20-24-8-6-9-25(19-24)28-10-5-4-7-23(28)3/h4-10,19,22,26-27,32H,11-18,20-21H2,1-3H3/t27-/m1/s1
InChIKeyCJGWBPHTQFCYQT-HHHXNRCGSA-N
XLogP4.40
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29025292
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CID 45186472
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
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2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
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2-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45210237
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 51622956) is 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1ccccc1-c1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1.
What is the InChIKey of 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is CJGWBPHTQFCYQT-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H41N3O/c1-22(2)30-14-11-26(12-15-30)31-17-16-29(21-27(31)13-18-32)20-24-8-6-9-25(19-24)28-10-5-4-7-23(28)3/h4-10,19,22,26-27,32H,11-18,20-21H2,1-3H3/t27-/m1/s1.
What are the key properties of 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 435.66 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51622956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).