1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol

C16H27N3O2 — CID 70487598

IUPAC1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCC(O)C1CNCCN1Cc1ccc(OCCCN)cc1
InChIInChI=1S/C16H27N3O2/c1-13(20)16-11-18-8-9-19(16)12-14-3-5-15(6-4-14)21-10-2-7-17/h3-6,13,16,18,20H,2,7-12,17H2,1H3
InChIKeyRYAOZMRJZUWFEK-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.57
Rot. Bonds7

About 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol

1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol (PubChem CID 70487598) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol
PubChem CID70487598
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCC(O)C1CNCCN1Cc1ccc(OCCCN)cc1
InChIInChI=1S/C16H27N3O2/c1-13(20)16-11-18-8-9-19(16)12-14-3-5-15(6-4-14)21-10-2-7-17/h3-6,13,16,18,20H,2,7-12,17H2,1H3
InChIKeyRYAOZMRJZUWFEK-UHFFFAOYSA-N
XLogP0.57
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
CID 82250822
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol (CID 70487598) is 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol is CC(O)C1CNCCN1Cc1ccc(OCCCN)cc1.
What is the InChIKey of 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol?
The InChIKey is RYAOZMRJZUWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(20)16-11-18-8-9-19(16)12-14-3-5-15(6-4-14)21-10-2-7-17/h3-6,13,16,18,20H,2,7-12,17H2,1H3.
What are the key properties of 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol?
1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 70487598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).