[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

C14H22N2O — CID 173159188

IUPAC[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(N2CCN(C3CC3)CC2)=C1
InChIInChI=1S/C14H22N2O/c17-11-12-2-1-3-14(10-12)16-8-6-15(7-9-16)13-4-5-13/h2,10,13,17H,1,3-9,11H2
InChIKeyLUIBIMKUQWHOCH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.36
Rot. Bonds3

About [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 173159188) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID173159188
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(N2CCN(C3CC3)CC2)=C1
InChIInChI=1S/C14H22N2O/c17-11-12-2-1-3-14(10-12)16-8-6-15(7-9-16)13-4-5-13/h2,10,13,17H,1,3-9,11H2
InChIKeyLUIBIMKUQWHOCH-UHFFFAOYSA-N
XLogP1.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (CID 173159188) is [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=CCCC(N2CCN(C3CC3)CC2)=C1.
What is the InChIKey of [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is LUIBIMKUQWHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-11-12-2-1-3-14(10-12)16-8-6-15(7-9-16)13-4-5-13/h2,10,13,17H,1,3-9,11H2.
What are the key properties of [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 173159188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).