trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol

C16H28FNO2 — CID 154972123

IUPACtrans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@H](O)C(CC2(F)CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H28FNO2/c1-12-2-3-15(19)13(8-12)9-16(17)4-6-18(7-5-16)14-10-20-11-14/h12-15,19H,2-11H2,1H3/t12-,13?,15-/m0/s1
InChIKeyVVAIVSWQSIBWER-YOYPFHDYSA-N
MW285.40 g/mol
LogP2.38
Rot. Bonds3

About trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol

trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol (PubChem CID 154972123) has the molecular formula C16H28FNO2 and a molecular weight of 285.40 g/mol. Its IUPAC name is trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol
PubChem CID154972123
Molecular FormulaC16H28FNO2
Molecular Weight285.40 g/mol
Exact Mass285.21
IUPAC Nametrans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@H](O)C(CC2(F)CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H28FNO2/c1-12-2-3-15(19)13(8-12)9-16(17)4-6-18(7-5-16)14-10-20-11-14/h12-15,19H,2-11H2,1H3/t12-,13?,15-/m0/s1
InChIKeyVVAIVSWQSIBWER-YOYPFHDYSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol
CID 79423781
1-(oxetan-3-yl)-4-propylpiperidin-4-ol
CID 145006365
4-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62609383
2-[(3-ethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 55094390
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79925117
4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 79423179
4-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclohexan-1-ol
CID 62610121
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol (CID 154972123) is trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol is C[C@H]1CC[C@H](O)C(CC2(F)CCN(C3COC3)CC2)C1.
What is the InChIKey of trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is VVAIVSWQSIBWER-YOYPFHDYSA-N. The full InChI is InChI=1S/C16H28FNO2/c1-12-2-3-15(19)13(8-12)9-16(17)4-6-18(7-5-16)14-10-20-11-14/h12-15,19H,2-11H2,1H3/t12-,13?,15-/m0/s1.
What are the key properties of trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol?
trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 285.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-2-[[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 154972123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).