1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine

C15H21F2N — CID 162490790

IUPAC1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)13-3-5-18(6-4-13)10-12-7-14(16)9-15(17)8-12/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyUJDHKBCZQRCRQS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.83
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine

1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 162490790) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
PubChem CID162490790
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)13-3-5-18(6-4-13)10-12-7-14(16)9-15(17)8-12/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyUJDHKBCZQRCRQS-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
CID 103887255
3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 103495761
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
CID 166142491
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine (CID 162490790) is 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is UJDHKBCZQRCRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)13-3-5-18(6-4-13)10-12-7-14(16)9-15(17)8-12/h7-9,11,13H,3-6,10H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine?
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 253.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 162490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).