1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine

C14H19FN2 — CID 84797023

IUPAC1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(N3CCCCC3)c(F)c2)CC1
InChIInChI=1S/C14H19FN2/c15-12-10-11(14(16)6-7-14)4-5-13(12)17-8-2-1-3-9-17/h4-5,10H,1-3,6-9,16H2
InChIKeyORSKKKZOSBYJCS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine

1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine (PubChem CID 84797023) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine
PubChem CID84797023
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(N3CCCCC3)c(F)c2)CC1
InChIInChI=1S/C14H19FN2/c15-12-10-11(14(16)6-7-14)4-5-13(12)17-8-2-1-3-9-17/h4-5,10H,1-3,6-9,16H2
InChIKeyORSKKKZOSBYJCS-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid
CID 55298064
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]cyclohexane-1,4-diamine
CID 175562234
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
1-(5-chloro-2-piperidin-1-ylphenyl)cyclopentan-1-amine
CID 117447140
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine
CID 117365262
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine (CID 84797023) is 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine is NC1(c2ccc(N3CCCCC3)c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The InChIKey is ORSKKKZOSBYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-10-11(14(16)6-7-14)4-5-13(12)17-8-2-1-3-9-17/h4-5,10H,1-3,6-9,16H2.
What are the key properties of 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine?
1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84797023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).