2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C19H39N3O — CID 92770438

IUPAC2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCC(CC)N1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1
InChIInChI=1S/C19H39N3O/c1-5-17(6-2)21-12-13-22(19(15-21)9-14-23)18-7-10-20(11-8-18)16(3)4/h16-19,23H,5-15H2,1-4H3/t19-/m0/s1
InChIKeyGXBSRBDJAQAGBE-IBGZPJMESA-N
MW325.54 g/mol
LogP2.42
Rot. Bonds7

About 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 92770438) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID92770438
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCC(CC)N1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1
InChIInChI=1S/C19H39N3O/c1-5-17(6-2)21-12-13-22(19(15-21)9-14-23)18-7-10-20(11-8-18)16(3)4/h16-19,23H,5-15H2,1-4H3/t19-/m0/s1
InChIKeyGXBSRBDJAQAGBE-IBGZPJMESA-N
XLogP2.42
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45211321
2-[(2R)-4-(1,4-dithiepan-6-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98617749
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 28954927
2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45189829
4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29025292
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186559
2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98578927
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[1-(1-propan-2-ylpiperidin-4-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45178979
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51635269

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 92770438) is 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CCC(CC)N1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is GXBSRBDJAQAGBE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H39N3O/c1-5-17(6-2)21-12-13-22(19(15-21)9-14-23)18-7-10-20(11-8-18)16(3)4/h16-19,23H,5-15H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 325.54 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 92770438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).