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

C17H26ClFN2 — CID 119931941

IUPAC4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCC1CC(c2ccc(F)cc2)CN1CC1CCNCC1.Cl
InChIInChI=1S/C17H25FN2.ClH/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;1H
InChIKeyIIBVYLCTAHCENI-UHFFFAOYSA-N
MW312.86 g/mol
LogP3.42
Rot. Bonds3

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

4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 119931941) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID119931941
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCC1CC(c2ccc(F)cc2)CN1CC1CCNCC1.Cl
InChIInChI=1S/C17H25FN2.ClH/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;1H
InChIKeyIIBVYLCTAHCENI-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 119931941) is 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride is CC1CC(c2ccc(F)cc2)CN1CC1CCNCC1.Cl.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is IIBVYLCTAHCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2.ClH/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;1H.
What are the key properties of 4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride?
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 3.42, 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;hydrochloride is sourced from PubChem (CID 119931941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).