1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C16H26ClFN2 — CID 120838983

IUPAC1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CC(C)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-13(15-3-5-16(17)6-4-15)12-19-9-7-14(8-10-19)11-18-2;/h3-6,13-14,18H,7-12H2,1-2H3;1H
InChIKeyRUJNOYCLUJRYAV-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.28
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120838983) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID120838983
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CC(C)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-13(15-3-5-16(17)6-4-15)12-19-9-7-14(8-10-19)11-18-2;/h3-6,13-14,18H,7-12H2,1-2H3;1H
InChIKeyRUJNOYCLUJRYAV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 120842603
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
1-[1-[2-(4-fluorophenyl)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842739
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
N-cyclopropyl-2-[4-[(2R)-2-(4-fluorophenyl)propyl]piperazin-1-yl]-2-oxoacetamide
CID 99857032
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 120838983) is 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(CC(C)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is RUJNOYCLUJRYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2.ClH/c1-13(15-3-5-16(17)6-4-15)12-19-9-7-14(8-10-19)11-18-2;/h3-6,13-14,18H,7-12H2,1-2H3;1H.
What are the key properties of 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120838983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).