1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol

C17H33NO2 — CID 157039805

IUPAC1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(C)(C)C1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C17H33NO2/c1-17(2,3)14-6-4-13(5-7-14)11-18-9-8-16(20)10-15(18)12-19/h13-16,19-20H,4-12H2,1-3H3
InChIKeyDRFHONUHKJAITF-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.66
Rot. Bonds3

About 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol

1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039805) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039805
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(C)(C)C1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C17H33NO2/c1-17(2,3)14-6-4-13(5-7-14)11-18-9-8-16(20)10-15(18)12-19/h13-16,19-20H,4-12H2,1-3H3
InChIKeyDRFHONUHKJAITF-UHFFFAOYSA-N
XLogP2.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 138510968
(2S,3R,4R,5S)-1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039353
1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302701
2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol
CID 143334595
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
CID 157039820
2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841596
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039805) is 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol is CC(C)(C)C1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is DRFHONUHKJAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-17(2,3)14-6-4-13(5-7-14)11-18-9-8-16(20)10-15(18)12-19/h13-16,19-20H,4-12H2,1-3H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 283.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).