ethyl N-(1-propylpiperidin-4-yl)carbamate

C11H22N2O2 — CID 17250323

IUPACethyl N-(1-propylpiperidin-4-yl)carbamate
SMILESCCCN1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-7-13-8-5-10(6-9-13)12-11(14)15-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyXMEHNLVWRNSKSD-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds4

About ethyl N-(1-propylpiperidin-4-yl)carbamate

ethyl N-(1-propylpiperidin-4-yl)carbamate (PubChem CID 17250323) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl N-(1-propylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-propylpiperidin-4-yl)carbamate
PubChem CID17250323
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl N-(1-propylpiperidin-4-yl)carbamate
SMILESCCCN1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-7-13-8-5-10(6-9-13)12-11(14)15-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyXMEHNLVWRNSKSD-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
4-(N-Boc-amino)piperidine
CID 723833
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
Ethyl 4-(cyclooctylamino)-1-piperidinecarboxylate
CID 2059342
3-piperidin-1-ylpropyl N-(3,3-dimethylbutan-2-yl)carbamate
CID 44352410
Butyl 4-aminopiperidine-1-carboxylate
CID 23025360
1,1-Dimethylethyl 4-(formylamino)-1-piperidinecarboxylate
CID 87225995
1-Piperazinecarboxylic acid, 4-(2-(cyclohexylamino)ethyl)-, ethyl ester, hydrochloride
CID 212400

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-propylpiperidin-4-yl)carbamate?
The IUPAC name of ethyl N-(1-propylpiperidin-4-yl)carbamate (CID 17250323) is ethyl N-(1-propylpiperidin-4-yl)carbamate.
What is the SMILES notation for ethyl N-(1-propylpiperidin-4-yl)carbamate?
The canonical SMILES for ethyl N-(1-propylpiperidin-4-yl)carbamate is CCCN1CCC(NC(=O)OCC)CC1.
What is the InChIKey of ethyl N-(1-propylpiperidin-4-yl)carbamate?
The InChIKey is XMEHNLVWRNSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-7-13-8-5-10(6-9-13)12-11(14)15-4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(1-propylpiperidin-4-yl)carbamate?
ethyl N-(1-propylpiperidin-4-yl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-propylpiperidin-4-yl)carbamate is sourced from PubChem (CID 17250323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).