2-piperidin-1-ylethyl adamantane-2-carboxylate

C18H29NO2 — CID 59383787

IUPAC2-piperidin-1-ylethyl adamantane-2-carboxylate
SMILESO=C(OCCN1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c20-18(21-7-6-19-4-2-1-3-5-19)17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,1-12H2
InChIKeyXRFRSROBGAIKKM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.09
Rot. Bonds4

About 2-piperidin-1-ylethyl adamantane-2-carboxylate

2-piperidin-1-ylethyl adamantane-2-carboxylate (PubChem CID 59383787) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl adamantane-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl adamantane-2-carboxylate
PubChem CID59383787
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-piperidin-1-ylethyl adamantane-2-carboxylate
SMILESO=C(OCCN1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c20-18(21-7-6-19-4-2-1-3-5-19)17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,1-12H2
InChIKeyXRFRSROBGAIKKM-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22955728
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
CID 164933243
2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
CID 23176009
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18463283
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
CID 138401507
2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 59204120
2-piperidin-1-ylethyl (Z)-2-cyano-3-hydroxybut-2-enoate
CID 67841663
2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
CID 69190855

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl adamantane-2-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl adamantane-2-carboxylate (CID 59383787) is 2-piperidin-1-ylethyl adamantane-2-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl adamantane-2-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl adamantane-2-carboxylate is O=C(OCCN1CCCCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-piperidin-1-ylethyl adamantane-2-carboxylate?
The InChIKey is XRFRSROBGAIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-18(21-7-6-19-4-2-1-3-5-19)17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,1-12H2.
What are the key properties of 2-piperidin-1-ylethyl adamantane-2-carboxylate?
2-piperidin-1-ylethyl adamantane-2-carboxylate has a molecular weight of 291.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl adamantane-2-carboxylate is sourced from PubChem (CID 59383787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).