1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine

C16H23FN2 — CID 145074067

IUPAC1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1
InChIInChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3
InChIKeyAQABESCGUYVIRR-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.58
Rot. Bonds3

About 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine

1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine (PubChem CID 145074067) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
PubChem CID145074067
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1
InChIInChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3
InChIKeyAQABESCGUYVIRR-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
CID 70845344
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
N-tert-butylsulfonyl-1-(4-carbamoylphenyl)piperidine-4-carboxamide
CID 68722873
1-(4-tert-butylphenyl)pyrrolidin-3-amine
CID 43314959
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
CID 174605305
N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
CID 172634540
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
(4E)-2-ethenyl-3,5,6-trimethyl-3-(trifluoromethyl)-4-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethenyl]hepta-1,4-dien-1-one
CID 134314444
4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
CID 155748028

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine (CID 145074067) is 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine is C=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1.
What is the InChIKey of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The InChIKey is AQABESCGUYVIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3.
What are the key properties of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine has a molecular weight of 262.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine is sourced from PubChem (CID 145074067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).