3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol

C20H28N2O2 — CID 82263112

IUPAC3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
SMILESCCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3
InChIKeyUYAQTLCJKFRENW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds7

About 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol

3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol (PubChem CID 82263112) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
PubChem CID82263112
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
SMILESCCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3
InChIKeyUYAQTLCJKFRENW-UHFFFAOYSA-N
XLogP2.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
CID 82263109
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
CID 82105545
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The IUPAC name of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol (CID 82263112) is 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol is CCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The InChIKey is UYAQTLCJKFRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3.
What are the key properties of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 82263112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).