[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine

C15H20ClFN2 — CID 114488890

IUPAC[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CC2)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H20ClFN2/c16-13-5-1-4-12(14(13)17)15-10(9-18)3-2-8-19(15)11-6-7-11/h1,4-5,10-11,15H,2-3,6-9,18H2
InChIKeyZRPXQUKLATYOGZ-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.35
Rot. Bonds3

About [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine

[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine (PubChem CID 114488890) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
PubChem CID114488890
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CC2)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H20ClFN2/c16-13-5-1-4-12(14(13)17)15-10(9-18)3-2-8-19(15)11-6-7-11/h1,4-5,10-11,15H,2-3,6-9,18H2
InChIKeyZRPXQUKLATYOGZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949
2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 114488962
[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
CID 103348592
2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66481295
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
CID 144941855
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
2-(3-chloro-2-fluorophenyl)-3-(chloromethyl)oxane
CID 114489411

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine (CID 114488890) is [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine is NCC1CCCN(C2CC2)C1c1cccc(Cl)c1F.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The InChIKey is ZRPXQUKLATYOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-13-5-1-4-12(14(13)17)15-10(9-18)3-2-8-19(15)11-6-7-11/h1,4-5,10-11,15H,2-3,6-9,18H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine has a molecular weight of 282.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114488890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).