1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol

C18H31NO — CID 106837476

IUPAC1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H31NO/c1-13(20)17-2-4-19(5-3-17)12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,20H,2-12H2,1H3
InChIKeyBXWCTGDXQGNJEU-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.30
Rot. Bonds3

About 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol

1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol (PubChem CID 106837476) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
PubChem CID106837476
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H31NO/c1-13(20)17-2-4-19(5-3-17)12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,20H,2-12H2,1H3
InChIKeyBXWCTGDXQGNJEU-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
2-(1-adamantyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966017
2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
CID 114799708
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
CID 63030675
4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
CID 2858113
1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
1-(1-adamantylmethyl)-N,4-dimethylpiperidin-4-amine
CID 115305138
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 106837702

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol (CID 106837476) is 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol?
The InChIKey is BXWCTGDXQGNJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(20)17-2-4-19(5-3-17)12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,20H,2-12H2,1H3.
What are the key properties of 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol?
1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).