(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol

C16H21FN2O — CID 146492058

IUPAC(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol
SMILESC=C/C=C(\O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O/c1-2-3-16(20)13-19-10-8-18(9-11-19)12-14-4-6-15(17)7-5-14/h2-7,20H,1,8-13H2/b16-3-
InChIKeyUXAIBAVDOSIVEV-XFQLMFQHSA-N
MW276.36 g/mol
LogP2.57
Rot. Bonds5

About (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol

(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol (PubChem CID 146492058) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol
PubChem CID146492058
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol
SMILESC=C/C=C(\O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O/c1-2-3-16(20)13-19-10-8-18(9-11-19)12-14-4-6-15(17)7-5-14/h2-7,20H,1,8-13H2/b16-3-
InChIKeyUXAIBAVDOSIVEV-XFQLMFQHSA-N
XLogP2.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]hex-5-en-2-ol
CID 3725440
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 67327205
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol?
The IUPAC name of (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol (CID 146492058) is (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol?
The canonical SMILES for (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol is C=C/C=C(\O)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol?
The InChIKey is UXAIBAVDOSIVEV-XFQLMFQHSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-2-3-16(20)13-19-10-8-18(9-11-19)12-14-4-6-15(17)7-5-14/h2-7,20H,1,8-13H2/b16-3-.
What are the key properties of (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol?
(2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol has a molecular weight of 276.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]penta-2,4-dien-2-ol is sourced from PubChem (CID 146492058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).