propan-2-yl 1-propylpiperidine-2-carboxylate

C12H23NO2 — CID 83982135

IUPACpropan-2-yl 1-propylpiperidine-2-carboxylate
SMILESCCCN1CCCCC1C(=O)OC(C)C
InChIInChI=1S/C12H23NO2/c1-4-8-13-9-6-5-7-11(13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZJDWMIZVERTFRB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds4

About propan-2-yl 1-propylpiperidine-2-carboxylate

propan-2-yl 1-propylpiperidine-2-carboxylate (PubChem CID 83982135) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl 1-propylpiperidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-propylpiperidine-2-carboxylate
PubChem CID83982135
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl 1-propylpiperidine-2-carboxylate
SMILESCCCN1CCCCC1C(=O)OC(C)C
InChIInChI=1S/C12H23NO2/c1-4-8-13-9-6-5-7-11(13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZJDWMIZVERTFRB-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
CID 25153972
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
propan-2-yl 1-propylpiperidine-3-carboxylate
CID 83982857
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
(2S)-1-[[(2S)-2-propan-2-yloxycarbonylaziridin-1-yl]methyl]pyrrolidine-2-carboxylic acid
CID 134896859
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-propylpiperidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-propylpiperidine-2-carboxylate (CID 83982135) is propan-2-yl 1-propylpiperidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-propylpiperidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-propylpiperidine-2-carboxylate is CCCN1CCCCC1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 1-propylpiperidine-2-carboxylate?
The InChIKey is ZJDWMIZVERTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-8-13-9-6-5-7-11(13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 1-propylpiperidine-2-carboxylate?
propan-2-yl 1-propylpiperidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-propylpiperidine-2-carboxylate is sourced from PubChem (CID 83982135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).