4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine

C17H25FN2 — CID 54174979

IUPAC4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCNC3)CC2)cc1
InChIInChI=1S/C17H25FN2/c18-17-3-1-14(2-4-17)11-15-6-9-20(10-7-15)13-16-5-8-19-12-16/h1-4,15-16,19H,5-13H2
InChIKeyOXQQHVNXRBRISI-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.69
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine

4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 54174979) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID54174979
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCNC3)CC2)cc1
InChIInChI=1S/C17H25FN2/c18-17-3-1-14(2-4-17)11-15-6-9-20(10-7-15)13-16-5-8-19-12-16/h1-4,15-16,19H,5-13H2
InChIKeyOXQQHVNXRBRISI-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine (CID 54174979) is 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine is Fc1ccc(CC2CCN(CC3CCNC3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is OXQQHVNXRBRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-17-3-1-14(2-4-17)11-15-6-9-20(10-7-15)13-16-5-8-19-12-16/h1-4,15-16,19H,5-13H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 276.40 g/mol, XLogP of 2.69, 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]-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 54174979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).