1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine

C17H25FN2 — CID 119932506

IUPAC1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
SMILESFc1ccc(C(NCC2CCNCC2)C2CCC2)cc1
InChIInChI=1S/C17H25FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-7,13-14,17,19-20H,1-3,8-12H2
InChIKeyOUTPWEGNGALYGN-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine

1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine (PubChem CID 119932506) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
PubChem CID119932506
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
SMILESFc1ccc(C(NCC2CCNCC2)C2CCC2)cc1
InChIInChI=1S/C17H25FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-7,13-14,17,19-20H,1-3,8-12H2
InChIKeyOUTPWEGNGALYGN-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
1-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 61057224
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 119122066
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446253
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine (CID 119932506) is 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine is Fc1ccc(C(NCC2CCNCC2)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine?
The InChIKey is OUTPWEGNGALYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-7,13-14,17,19-20H,1-3,8-12H2.
What are the key properties of 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine?
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine is sourced from PubChem (CID 119932506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).