2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol

C15H25N3O — CID 112513599

IUPAC2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
SMILESNCCCN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c16-7-4-8-17-9-11-18(12-10-17)13-15(19)14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-13,16H2
InChIKeyNJZPSJRRFRVTAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.69
Rot. Bonds6

About 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol

2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 112513599) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
PubChem CID112513599
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
SMILESNCCCN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c16-7-4-8-17-9-11-18(12-10-17)13-15(19)14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-13,16H2
InChIKeyNJZPSJRRFRVTAU-UHFFFAOYSA-N
XLogP0.69
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 95602063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol (CID 112513599) is 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol is NCCCN1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is NJZPSJRRFRVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-7-4-8-17-9-11-18(12-10-17)13-15(19)14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-13,16H2.
What are the key properties of 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol?
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 263.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 112513599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).