1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol

C18H28N2O — CID 115995985

IUPAC1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-2-18(21)16-9-5-6-10-17(16)20-13-11-19(12-14-20)15-7-3-4-8-15/h5-6,9-10,15,18,21H,2-4,7-8,11-14H2,1H3
InChIKeyDDNKOFQBDYDPIH-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol

1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol (PubChem CID 115995985) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
PubChem CID115995985
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-2-18(21)16-9-5-6-10-17(16)20-13-11-19(12-14-20)15-7-3-4-8-15/h5-6,9-10,15,18,21H,2-4,7-8,11-14H2,1H3
InChIKeyDDNKOFQBDYDPIH-UHFFFAOYSA-N
XLogP3.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960112
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol (CID 115995985) is 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol is CCC(O)c1ccccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol?
The InChIKey is DDNKOFQBDYDPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-18(21)16-9-5-6-10-17(16)20-13-11-19(12-14-20)15-7-3-4-8-15/h5-6,9-10,15,18,21H,2-4,7-8,11-14H2,1H3.
What are the key properties of 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol?
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol has a molecular weight of 288.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 115995985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).