3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine

C20H24F3N3 — CID 95558692

IUPAC3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H24F3N3/c21-20(22,23)18-8-2-1-6-16(18)10-9-15-5-4-12-26(13-15)14-17-7-3-11-25-19(17)24/h1-3,6-8,11,15H,4-5,9-10,12-14H2,(H2,24,25)/t15-/m1/s1
InChIKeyPZKBWJPOMOBVJX-OAHLLOKOSA-N
MW363.43 g/mol
LogP4.53
Rot. Bonds5

About 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine

3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 95558692) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID95558692
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H24F3N3/c21-20(22,23)18-8-2-1-6-16(18)10-9-15-5-4-12-26(13-15)14-17-7-3-11-25-19(17)24/h1-3,6-8,11,15H,4-5,9-10,12-14H2,(H2,24,25)/t15-/m1/s1
InChIKeyPZKBWJPOMOBVJX-OAHLLOKOSA-N
XLogP4.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95545419
N-ethyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95553794
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
(6-amino-3-pyridinyl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95551304
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine (CID 95558692) is 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine is Nc1ncccc1CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is PZKBWJPOMOBVJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24F3N3/c21-20(22,23)18-8-2-1-6-16(18)10-9-15-5-4-12-26(13-15)14-17-7-3-11-25-19(17)24/h1-3,6-8,11,15H,4-5,9-10,12-14H2,(H2,24,25)/t15-/m1/s1.
What are the key properties of 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine?
3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95558692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).