4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid

C19H27FN2O2 — CID 69121810

IUPAC4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccc(F)cc2)(CN2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-6-4-16(5-7-17)14-19(15-21-10-2-1-3-11-21)8-12-22(13-9-19)18(23)24/h4-7H,1-3,8-15H2,(H,23,24)
InChIKeyFPQUCQWMDHOGQK-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.61
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid

4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 69121810) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid
PubChem CID69121810
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccc(F)cc2)(CN2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-6-4-16(5-7-17)14-19(15-21-10-2-1-3-11-21)8-12-22(13-9-19)18(23)24/h4-7H,1-3,8-15H2,(H,23,24)
InChIKeyFPQUCQWMDHOGQK-UHFFFAOYSA-N
XLogP3.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid (CID 69121810) is 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2ccc(F)cc2)(CN2CCCCC2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is FPQUCQWMDHOGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-6-4-16(5-7-17)14-19(15-21-10-2-1-3-11-21)8-12-22(13-9-19)18(23)24/h4-7H,1-3,8-15H2,(H,23,24).
What are the key properties of 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid?
4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 334.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69121810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).