1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone

C18H29NO2 — CID 114509932

IUPAC1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
SMILESCCC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCC1O
InChIInChI=1S/C18H29NO2/c1-2-15-11-19(4-3-16(15)20)17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-16,20H,2-11H2,1H3
InChIKeyYAYXNERQPJDHCC-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.82
Rot. Bonds2

About 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone

1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone (PubChem CID 114509932) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
PubChem CID114509932
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
SMILESCCC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCC1O
InChIInChI=1S/C18H29NO2/c1-2-15-11-19(4-3-16(15)20)17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-16,20H,2-11H2,1H3
InChIKeyYAYXNERQPJDHCC-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233
1-adamantyl-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414910
1-adamantyl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805518
1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124727706
1-adamantyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 119101749
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509915
1-adamantyl-[4-(1-aminoethyl)piperidin-1-yl]methanone
CID 63594641
1-adamantyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106838853
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone (CID 114509932) is 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone is CCC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCC1O.
What is the InChIKey of 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YAYXNERQPJDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-15-11-19(4-3-16(15)20)17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-16,20H,2-11H2,1H3.
What are the key properties of 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone?
1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone has a molecular weight of 291.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 114509932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).