(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine

C13H18FN — CID 51531587

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-11-3-2-8-15(9-11)10-12-4-6-13(14)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyFAMROCFULMJGDX-LLVKDONJSA-N
MW207.29 g/mol
LogP3.06
Rot. Bonds2

About (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine

(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine (PubChem CID 51531587) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
PubChem CID51531587
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-11-3-2-8-15(9-11)10-12-4-6-13(14)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyFAMROCFULMJGDX-LLVKDONJSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
1-benzyl-3-methylpiperidine
CID 2794856
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135670
4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294025
4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294026
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine (CID 51531587) is (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine is C[C@@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine?
The InChIKey is FAMROCFULMJGDX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FN/c1-11-3-2-8-15(9-11)10-12-4-6-13(14)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine?
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 51531587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).