1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol

C16H30FNO — CID 155302745

IUPAC1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(C(C)(C)F)CC1
InChIInChI=1S/C16H30FNO/c1-12-10-15(19)8-9-18(12)11-13-4-6-14(7-5-13)16(2,3)17/h12-15,19H,4-11H2,1-3H3
InChIKeyGXXOZXPDYSHTGC-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.39
Rot. Bonds3

About 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol

1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol (PubChem CID 155302745) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol
PubChem CID155302745
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(C(C)(C)F)CC1
InChIInChI=1S/C16H30FNO/c1-12-10-15(19)8-9-18(12)11-13-4-6-14(7-5-13)16(2,3)17/h12-15,19H,4-11H2,1-3H3
InChIKeyGXXOZXPDYSHTGC-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,5,9-Trimethyl-decyl)-piperidin-4-ol
CID 44271496
4-[[(4S)-1-fluoro-4-propan-2-ylnonan-2-yl]-methylamino]butan-2-ol
CID 126647640
1-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
(2R,3R,4R,5S)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155286440
(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
CID 155286557
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688
1-[(4-Tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol
CID 155302702
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol (CID 155302745) is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CC1CCC(C(C)(C)F)CC1.
What is the InChIKey of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol?
The InChIKey is GXXOZXPDYSHTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-12-10-15(19)8-9-18(12)11-13-4-6-14(7-5-13)16(2,3)17/h12-15,19H,4-11H2,1-3H3.
What are the key properties of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol?
1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol has a molecular weight of 271.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).