(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate

C19H31NO2 — CID 170530087

IUPAC(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate
SMILESCC(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,3-12H2,1-2H3
InChIKeyMDDSNAVXWXMMLX-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.46
Rot. Bonds2

About (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate

(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate (PubChem CID 170530087) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate
PubChem CID170530087
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate
SMILESCC(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,3-12H2,1-2H3
InChIKeyMDDSNAVXWXMMLX-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-1-carboxylic acid adamantan-2-yl ester
CID 52945668
3-Methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
CID 12604735
CID 20801839
CID 20801839
1-Adamantyl piperidine-1-carboxylate
CID 59148772
(2-Methyl-2-adamantyl) piperidine-1-carboxylate
CID 67890582
(2-Methyl-2-adamantyl) thiomorpholine-4-carboxylate
CID 70799556
(2-Ethyl-2-adamantyl) thiomorpholine-4-carboxylate
CID 70799566
2-(1-Adamantyl)propan-2-yl piperidine-1-carboxylate
CID 89457697
2-(2-adamantyl)propan-2-yl N,N-dicyclohexylcarbamate
CID 117731530
(2-Propan-2-yl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959040
(2-Methyl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959047
(2-Prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530064

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate?
The IUPAC name of (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate (CID 170530087) is (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate?
The canonical SMILES for (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate is CC(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate?
The InChIKey is MDDSNAVXWXMMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h13-17H,3-12H2,1-2H3.
What are the key properties of (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate?
(2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate has a molecular weight of 305.46 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-2-adamantyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).