1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine

C25H33FN2O — CID 175216623

IUPAC1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyXHEIUQYUEUNXGX-UHFFFAOYSA-N
MW396.55 g/mol
LogP5.46
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine

1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine (PubChem CID 175216623) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
PubChem CID175216623
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyXHEIUQYUEUNXGX-UHFFFAOYSA-N
XLogP5.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
CID 175211251
1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175211247
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 175211306
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
CID 175407502
2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
CID 175208324
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396296
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine (CID 175216623) is 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine is CC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The InChIKey is XHEIUQYUEUNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine has a molecular weight of 396.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine is sourced from PubChem (CID 175216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).