[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

C14H22N2O — CID 173071161

IUPAC[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC=C1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H22N2O/c17-11-12-3-1-2-4-14(12)16-9-7-15(8-10-16)13-5-6-13/h3-4,13,17H,1-2,5-11H2
InChIKeyVQKMACDYEDHALR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.36
Rot. Bonds3

About [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 173071161) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID173071161
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC=C1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H22N2O/c17-11-12-3-1-2-4-14(12)16-9-7-15(8-10-16)13-5-6-13/h3-4,13,17H,1-2,5-11H2
InChIKeyVQKMACDYEDHALR-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 [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (CID 173071161) is [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=CCCC=C1N1CCN(C2CC2)CC1.
What is the InChIKey of [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is VQKMACDYEDHALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-11-12-3-1-2-4-14(12)16-9-7-15(8-10-16)13-5-6-13/h3-4,13,17H,1-2,5-11H2.
What are the key properties of [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
[6-(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 [6-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 173071161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).