N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C14H17F4N3 — CID 77463574

IUPACN-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC1CN(c2ccc(C(F)(F)F)cn2)CCC1NC1CC1
InChIInChI=1S/C14H17F4N3/c15-11-8-21(6-5-12(11)20-10-2-3-10)13-4-1-9(7-19-13)14(16,17)18/h1,4,7,10-12,20H,2-3,5-6,8H2
InChIKeyMWZRYEUNMSYBSA-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.77
Rot. Bonds3

About N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 77463574) has the molecular formula C14H17F4N3 and a molecular weight of 303.30 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID77463574
Molecular FormulaC14H17F4N3
Molecular Weight303.30 g/mol
Exact Mass303.14
IUPAC NameN-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC1CN(c2ccc(C(F)(F)F)cn2)CCC1NC1CC1
InChIInChI=1S/C14H17F4N3/c15-11-8-21(6-5-12(11)20-10-2-3-10)13-4-1-9(7-19-13)14(16,17)18/h1,4,7,10-12,20H,2-3,5-6,8H2
InChIKeyMWZRYEUNMSYBSA-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 77463574) is N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC1CN(c2ccc(C(F)(F)F)cn2)CCC1NC1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is MWZRYEUNMSYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3/c15-11-8-21(6-5-12(11)20-10-2-3-10)13-4-1-9(7-19-13)14(16,17)18/h1,4,7,10-12,20H,2-3,5-6,8H2.
What are the key properties of N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 303.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 77463574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).