N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C22H26F3N3 — CID 154756138

IUPACN-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESFC(F)(F)c1cccc([C@H](NC2CCN(Cc3ccncc3)CC2)C2CC2)c1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)19-3-1-2-18(14-19)21(17-4-5-17)27-20-8-12-28(13-9-20)15-16-6-10-26-11-7-16/h1-3,6-7,10-11,14,17,20-21,27H,4-5,8-9,12-13,15H2/t21-/m1/s1
InChIKeyYCGYXJBJONOJII-OAQYLSRUSA-N
MW389.47 g/mol
LogP4.81
Rot. Bonds6

About N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 154756138) has the molecular formula C22H26F3N3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID154756138
Molecular FormulaC22H26F3N3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESFC(F)(F)c1cccc([C@H](NC2CCN(Cc3ccncc3)CC2)C2CC2)c1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)19-3-1-2-18(14-19)21(17-4-5-17)27-20-8-12-28(13-9-20)15-16-6-10-26-11-7-16/h1-3,6-7,10-11,14,17,20-21,27H,4-5,8-9,12-13,15H2/t21-/m1/s1
InChIKeyYCGYXJBJONOJII-OAQYLSRUSA-N
XLogP4.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 139982347
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
CID 95819638
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
2-amino-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 69182291
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-benzyl-4-[1-[3-(trifluoromethyl)phenyl]prop-2-enoxymethyl]piperidine
CID 19022856
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 97339246
1-(1-benzylpiperidin-4-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86972447
1-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 84593917
(3S,5R)-1-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92607880

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 154756138) is N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is FC(F)(F)c1cccc([C@H](NC2CCN(Cc3ccncc3)CC2)C2CC2)c1.
What is the InChIKey of N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is YCGYXJBJONOJII-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26F3N3/c23-22(24,25)19-3-1-2-18(14-19)21(17-4-5-17)27-20-8-12-28(13-9-20)15-16-6-10-26-11-7-16/h1-3,6-7,10-11,14,17,20-21,27H,4-5,8-9,12-13,15H2/t21-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 389.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 154756138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).