2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol

C19H26N2O2 — CID 82263109

IUPAC2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
SMILESCCCOc1ccc2ccccc2c1C(O)CN1CCNCC1
InChIInChI=1S/C19H26N2O2/c1-2-13-23-18-8-7-15-5-3-4-6-16(15)19(18)17(22)14-21-11-9-20-10-12-21/h3-8,17,20,22H,2,9-14H2,1H3
InChIKeyJDNWUBBXPZQWOP-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.57
Rot. Bonds6

About 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol

2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol (PubChem CID 82263109) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
PubChem CID82263109
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
SMILESCCCOc1ccc2ccccc2c1C(O)CN1CCNCC1
InChIInChI=1S/C19H26N2O2/c1-2-13-23-18-8-7-15-5-3-4-6-16(15)19(18)17(22)14-21-11-9-20-10-12-21/h3-8,17,20,22H,2,9-14H2,1H3
InChIKeyJDNWUBBXPZQWOP-UHFFFAOYSA-N
XLogP2.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol?
The IUPAC name of 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol (CID 82263109) is 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol?
The canonical SMILES for 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol is CCCOc1ccc2ccccc2c1C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol?
The InChIKey is JDNWUBBXPZQWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-13-23-18-8-7-15-5-3-4-6-16(15)19(18)17(22)14-21-11-9-20-10-12-21/h3-8,17,20,22H,2,9-14H2,1H3.
What are the key properties of 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol?
2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol has a molecular weight of 314.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol is sourced from PubChem (CID 82263109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).