(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate

C17H31NO2 — CID 63539695

IUPAC(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CCCCC2CC)CCCNC1
InChIInChI=1S/C17H31NO2/c1-3-10-17(11-7-12-18-13-17)16(19)20-15-9-6-5-8-14(15)4-2/h14-15,18H,3-13H2,1-2H3
InChIKeyMLABJGKDLSGHAO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.67
Rot. Bonds5

About (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate

(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate (PubChem CID 63539695) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate
PubChem CID63539695
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CCCCC2CC)CCCNC1
InChIInChI=1S/C17H31NO2/c1-3-10-17(11-7-12-18-13-17)16(19)20-15-9-6-5-8-14(15)4-2/h14-15,18H,3-13H2,1-2H3
InChIKeyMLABJGKDLSGHAO-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-propylpiperidine-3-carboxylate
CID 56773807
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
oxolan-3-yl 3-propylpiperidine-3-carboxylate
CID 55212942
(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate
CID 63541396
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
N-cyclopentyl-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130051
(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
CID 116569810
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
N-cyclopentyl-N-prop-2-enyl-3-propylpiperidine-3-carboxamide
CID 63131593
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate (CID 63539695) is (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OC2CCCCC2CC)CCCNC1.
What is the InChIKey of (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The InChIKey is MLABJGKDLSGHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-10-17(11-7-12-18-13-17)16(19)20-15-9-6-5-8-14(15)4-2/h14-15,18H,3-13H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 63539695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).