3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine

C15H21F3N2 — CID 121304863

IUPAC3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESNCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-6-8-20(9-7-13)14(11-19)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2
InChIKeyMWKBWVZZJINWNB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.83
Rot. Bonds4

About 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine

3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 121304863) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID121304863
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESNCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-6-8-20(9-7-13)14(11-19)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2
InChIKeyMWKBWVZZJINWNB-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 121304822
1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 121304833
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
3-pyridin-3-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 82077199
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 121304863) is 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine is NCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is MWKBWVZZJINWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-6-8-20(9-7-13)14(11-19)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2.
What are the key properties of 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 286.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 121304863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).