[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine

C12H15ClF3N3 — CID 114926672

IUPAC[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
SMILESNCc1cc(N2CCC(C(F)(F)F)CC2)ncc1Cl
InChIInChI=1S/C12H15ClF3N3/c13-10-7-18-11(5-8(10)6-17)19-3-1-9(2-4-19)12(14,15)16/h5,7,9H,1-4,6,17H2
InChIKeyJNUSDERRDHMMSF-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.97
Rot. Bonds2

About [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine

[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine (PubChem CID 114926672) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
PubChem CID114926672
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
SMILESNCc1cc(N2CCC(C(F)(F)F)CC2)ncc1Cl
InChIInChI=1S/C12H15ClF3N3/c13-10-7-18-11(5-8(10)6-17)19-3-1-9(2-4-19)12(14,15)16/h5,7,9H,1-4,6,17H2
InChIKeyJNUSDERRDHMMSF-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114926413
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-4-pyridinyl]methanamine
CID 114926380
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134
[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920499
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
CID 114920202
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 79033428
1-[5-chloro-4-(chloromethyl)-2-pyridinyl]-4-methylazepane
CID 114921058
[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 169490391
N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine (CID 114926672) is [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine is NCc1cc(N2CCC(C(F)(F)F)CC2)ncc1Cl.
What is the InChIKey of [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine?
The InChIKey is JNUSDERRDHMMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c13-10-7-18-11(5-8(10)6-17)19-3-1-9(2-4-19)12(14,15)16/h5,7,9H,1-4,6,17H2.
What are the key properties of [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine?
[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine has a molecular weight of 293.72 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine is sourced from PubChem (CID 114926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).