1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid

C18H29NO2 — CID 43441462

IUPAC1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29NO2/c20-17(21)16-1-4-19(5-2-16)6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12H2,(H,20,21)
InChIKeySRWXLJNHHIIPTF-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid

1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 43441462) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid
PubChem CID43441462
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29NO2/c20-17(21)16-1-4-19(5-2-16)6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12H2,(H,20,21)
InChIKeySRWXLJNHHIIPTF-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(Trifluoromethyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid
CID 119349645
1-(1-Adamantylcarbonyl)-4-piperidinecarboxylic acid
CID 16774066
4-[1-Adamantyl(methyl)amino]butanoic acid
CID 21557070
4-[1-Adamantyl(methyl)amino]-2-ethylbutanoic acid;hydrochloride
CID 68133745
4-[1-Adamantyl(methyl)amino]-2-ethylbutanoic acid
CID 68133746
4-[4-(1-Adamantyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121440835
1-(3,5-Dimethyladamantane-1-carbonyl)piperidine-4-carboxylic acid
CID 23009714
1-[2-(1-Adamantyl)ethyl]piperidine-3-carboxylic acid
CID 43440764
4-(1-Adamantylmethylamino)butanoic acid
CID 43473784
4-[1-Adamantylmethyl(methyl)amino]butanoic acid
CID 55006119
3-[1-Adamantylmethyl(methyl)amino]-2-methylpropanoic acid
CID 55007346
Methyl 1-(1-adamantylmethyl)piperidine-4-carboxylate
CID 60718597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid (CID 43441462) is 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is SRWXLJNHHIIPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-17(21)16-1-4-19(5-2-16)6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12H2,(H,20,21).
What are the key properties of 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 291.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).