1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine

C14H17FN2 — CID 138041794

IUPAC1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN2/c1-2-6-16-7-9-17(10-8-16)12-13-4-3-5-14(15)11-13/h1,3-5,11H,6-10,12H2
InChIKeyIWXSTDVFCBORSR-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.58
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine

1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine (PubChem CID 138041794) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
PubChem CID138041794
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN2/c1-2-6-16-7-9-17(10-8-16)12-13-4-3-5-14(15)11-13/h1,3-5,11H,6-10,12H2
InChIKeyIWXSTDVFCBORSR-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine (CID 138041794) is 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine is C#CCN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine?
The InChIKey is IWXSTDVFCBORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-2-6-16-7-9-17(10-8-16)12-13-4-3-5-14(15)11-13/h1,3-5,11H,6-10,12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine?
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine has a molecular weight of 232.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine is sourced from PubChem (CID 138041794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).