1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine

C19H22F2N2 — CID 19771937

IUPAC1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNC(c2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C19H22F2N2/c20-17-5-1-14(2-6-17)13-23-19(16-9-11-22-12-10-16)15-3-7-18(21)8-4-15/h1-8,16,19,22-23H,9-13H2
InChIKeyHTRSWFAONKJMNC-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 19771937) has the molecular formula C19H22F2N2 and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID19771937
Molecular FormulaC19H22F2N2
Molecular Weight316.39 g/mol
Exact Mass316.18
IUPAC Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNC(c2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C19H22F2N2/c20-17-5-1-14(2-6-17)13-23-19(16-9-11-22-12-10-16)15-3-7-18(21)8-4-15/h1-8,16,19,22-23H,9-13H2
InChIKeyHTRSWFAONKJMNC-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
CID 19772004
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 119122066

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine (CID 19771937) is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine is Fc1ccc(CNC(c2ccc(F)cc2)C2CCNCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is HTRSWFAONKJMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c20-17-5-1-14(2-6-17)13-23-19(16-9-11-22-12-10-16)15-3-7-18(21)8-4-15/h1-8,16,19,22-23H,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 316.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 19771937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).