1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine

C18H27FN2 — CID 143593858

IUPAC1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
SMILESC=C(CC(C)(C)C)N1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H27FN2/c1-14(13-18(2,3)4)21-10-8-16(9-11-21)20-17-7-5-6-15(19)12-17/h5-7,12,16,20H,1,8-11,13H2,2-4H3
InChIKeyVLOSRCQWAZBNMR-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.65
Rot. Bonds4

About 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine

1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine (PubChem CID 143593858) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
PubChem CID143593858
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
SMILESC=C(CC(C)(C)C)N1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H27FN2/c1-14(13-18(2,3)4)21-10-8-16(9-11-21)20-17-7-5-6-15(19)12-17/h5-7,12,16,20H,1,8-11,13H2,2-4H3
InChIKeyVLOSRCQWAZBNMR-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43762199
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine (CID 143593858) is 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine is C=C(CC(C)(C)C)N1CCC(Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine?
The InChIKey is VLOSRCQWAZBNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(13-18(2,3)4)21-10-8-16(9-11-21)20-17-7-5-6-15(19)12-17/h5-7,12,16,20H,1,8-11,13H2,2-4H3.
What are the key properties of 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine?
1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 143593858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).