3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline

C16H25FN2 — CID 81045794

IUPAC3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
SMILESCC(CCN(C)c1cccc(F)c1)C1CCCNC1
InChIInChI=1S/C16H25FN2/c1-13(14-5-4-9-18-12-14)8-10-19(2)16-7-3-6-15(17)11-16/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3
InChIKeyHKWIWSCSTCVUNX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.29
Rot. Bonds5

About 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline

3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline (PubChem CID 81045794) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
PubChem CID81045794
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
SMILESCC(CCN(C)c1cccc(F)c1)C1CCCNC1
InChIInChI=1S/C16H25FN2/c1-13(14-5-4-9-18-12-14)8-10-19(2)16-7-3-6-15(17)11-16/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3
InChIKeyHKWIWSCSTCVUNX-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline
CID 142167422
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
CID 116679881
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81048888
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline (CID 81045794) is 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline is CC(CCN(C)c1cccc(F)c1)C1CCCNC1.
What is the InChIKey of 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline?
The InChIKey is HKWIWSCSTCVUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(14-5-4-9-18-12-14)8-10-19(2)16-7-3-6-15(17)11-16/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline?
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline is sourced from PubChem (CID 81045794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).