[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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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).