4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine

C17H25FN2 — CID 119931942

IUPAC4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
SMILESCC1CC(c2ccc(F)cc2)CN1CC1CCNCC1
InChIInChI=1S/C17H25FN2/c1-13-10-16(15-2-4-17(18)5-3-15)12-20(13)11-14-6-8-19-9-7-14/h2-5,13-14,16,19H,6-12H2,1H3
InChIKeyDBKGMIYSJUGMOM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.00
Rot. Bonds3

About 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine

4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine (PubChem CID 119931942) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
PubChem CID119931942
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
SMILESCC1CC(c2ccc(F)cc2)CN1CC1CCNCC1
InChIInChI=1S/C17H25FN2/c1-13-10-16(15-2-4-17(18)5-3-15)12-20(13)11-14-6-8-19-9-7-14/h2-5,13-14,16,19H,6-12H2,1H3
InChIKeyDBKGMIYSJUGMOM-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931941
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
CID 99777227
5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 120855129
1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111434982
5-ethyl-3-[[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773457
5-ethyl-3-[[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773456
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930010
1-[(4-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869395
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine (CID 119931942) is 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine is CC1CC(c2ccc(F)cc2)CN1CC1CCNCC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine?
The InChIKey is DBKGMIYSJUGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13-10-16(15-2-4-17(18)5-3-15)12-20(13)11-14-6-8-19-9-7-14/h2-5,13-14,16,19H,6-12H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine?
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine has a molecular weight of 276.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 119931942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).