6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C16H31NO2 — CID 102967513

IUPAC6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOC1CN(CC2CCCC(C)(C)C2O)CCC1C
InChIInChI=1S/C16H31NO2/c1-12-7-9-17(11-14(12)19-4)10-13-6-5-8-16(2,3)15(13)18/h12-15,18H,5-11H2,1-4H3
InChIKeyPFDTXPREXUPMMQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.53
Rot. Bonds3

About 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 102967513) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID102967513
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCOC1CN(CC2CCCC(C)(C)C2O)CCC1C
InChIInChI=1S/C16H31NO2/c1-12-7-9-17(11-14(12)19-4)10-13-6-5-8-16(2,3)15(13)18/h12-15,18H,5-11H2,1-4H3
InChIKeyPFDTXPREXUPMMQ-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349
6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848579
2,2-dimethyl-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
CID 79848658
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 102967140
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 79843515
6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843711
6-[(2-ethylmorpholin-4-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849362
1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
CID 130993601
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114681978
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 102967513) is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is COC1CN(CC2CCCC(C)(C)C2O)CCC1C.
What is the InChIKey of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is PFDTXPREXUPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12-7-9-17(11-14(12)19-4)10-13-6-5-8-16(2,3)15(13)18/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 102967513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).