[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine

C17H26FN3 — CID 63008035

IUPAC[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1cc(F)ccc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H26FN3/c18-16-3-4-17(15(11-16)12-19)21-9-5-14(6-10-21)13-20-7-1-2-8-20/h3-4,11,14H,1-2,5-10,12-13,19H2
InChIKeyUUZPKCOKHZAXTE-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.60
Rot. Bonds4

About [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine

[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine (PubChem CID 63008035) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
PubChem CID63008035
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1cc(F)ccc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H26FN3/c18-16-3-4-17(15(11-16)12-19)21-9-5-14(6-10-21)13-20-7-1-2-8-20/h3-4,11,14H,1-2,5-10,12-13,19H2
InChIKeyUUZPKCOKHZAXTE-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
3-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]aniline
CID 62995649
4-bromo-5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]aniline
CID 116735900
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
2-[[1-[2-(aminomethyl)-4-fluorophenyl]piperidin-4-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbaldehyde
CID 174613516
3-fluoro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 102816312

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine (CID 63008035) is [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine is NCc1cc(F)ccc1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine?
The InChIKey is UUZPKCOKHZAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c18-16-3-4-17(15(11-16)12-19)21-9-5-14(6-10-21)13-20-7-1-2-8-20/h3-4,11,14H,1-2,5-10,12-13,19H2.
What are the key properties of [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine?
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 63008035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).