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

C16H26N2O — CID 173159203

IUPAC1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESCCC(O)C1=CCCC(N2CCN(C3CC3)CC2)=C1
InChIInChI=1S/C16H26N2O/c1-2-16(19)13-4-3-5-15(12-13)18-10-8-17(9-11-18)14-6-7-14/h4,12,14,16,19H,2-3,5-11H2,1H3
InChIKeyUTDBTUULUJEMBN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds4

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

1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol (PubChem CID 173159203) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol
PubChem CID173159203
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESCCC(O)C1=CCCC(N2CCN(C3CC3)CC2)=C1
InChIInChI=1S/C16H26N2O/c1-2-16(19)13-4-3-5-15(12-13)18-10-8-17(9-11-18)14-6-7-14/h4,12,14,16,19H,2-3,5-11H2,1H3
InChIKeyUTDBTUULUJEMBN-UHFFFAOYSA-N
XLogP2.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The IUPAC name of 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol (CID 173159203) is 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The canonical SMILES for 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol is CCC(O)C1=CCCC(N2CCN(C3CC3)CC2)=C1.
What is the InChIKey of 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The InChIKey is UTDBTUULUJEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-16(19)13-4-3-5-15(12-13)18-10-8-17(9-11-18)14-6-7-14/h4,12,14,16,19H,2-3,5-11H2,1H3.
What are the key properties of 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol?
1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]propan-1-ol is sourced from PubChem (CID 173159203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).