1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C16H19F3N2 — CID 62881993

IUPAC1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESC#CCN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2/c1-2-9-21-10-7-15(8-11-21)20-12-13-3-5-14(6-4-13)16(17,18)19/h1,3-6,15,20H,7-12H2
InChIKeyYLDDGADDSDBBGW-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.89
Rot. Bonds4

About 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 62881993) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID62881993
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESC#CCN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2/c1-2-9-21-10-7-15(8-11-21)20-12-13-3-5-14(6-4-13)16(17,18)19/h1,3-6,15,20H,7-12H2
InChIKeyYLDDGADDSDBBGW-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 59059121
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
1-(2,2-difluoroethyl)-N-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 86777616
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 62881993) is 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is C#CCN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is YLDDGADDSDBBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2/c1-2-9-21-10-7-15(8-11-21)20-12-13-3-5-14(6-4-13)16(17,18)19/h1,3-6,15,20H,7-12H2.
What are the key properties of 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 296.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 62881993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).