[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine

C14H20FN3 — CID 113295404

IUPAC[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C14H20FN3/c15-14-9-13(2-1-11(14)10-16)18-7-5-17(6-8-18)12-3-4-12/h1-2,9,12H,3-8,10,16H2
InChIKeyMNNYZPGVMCBKFB-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.57
Rot. Bonds3

About [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine

[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine (PubChem CID 113295404) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
PubChem CID113295404
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C14H20FN3/c15-14-9-13(2-1-11(14)10-16)18-7-5-17(6-8-18)12-3-4-12/h1-2,9,12H,3-8,10,16H2
InChIKeyMNNYZPGVMCBKFB-UHFFFAOYSA-N
XLogP1.57
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62136233
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170878920
4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-fluoroaniline
CID 64768462

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine (CID 113295404) is [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine is NCc1ccc(N2CCN(C3CC3)CC2)cc1F.
What is the InChIKey of [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine?
The InChIKey is MNNYZPGVMCBKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c15-14-9-13(2-1-11(14)10-16)18-7-5-17(6-8-18)12-3-4-12/h1-2,9,12H,3-8,10,16H2.
What are the key properties of [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine?
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine has a molecular weight of 249.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 113295404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).