ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate

C12H24N2O2 — CID 79721032

IUPACethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)14(10(2)3)9-11-5-7-13-8-6-11/h10-11,13H,4-9H2,1-3H3
InChIKeyWSSCAEYUTHNVBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds4

About ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate

ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate (PubChem CID 79721032) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
PubChem CID79721032
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)14(10(2)3)9-11-5-7-13-8-6-11/h10-11,13H,4-9H2,1-3H3
InChIKeyWSSCAEYUTHNVBI-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpentanamide
CID 79720418
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
ethyl 2-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
3,5,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylhexanamide
CID 79701321
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 79720928
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233

Frequently Asked Questions

What is the IUPAC name of ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate (CID 79721032) is ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate is CCOC(=O)N(CC1CCNCC1)C(C)C.
What is the InChIKey of ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate?
The InChIKey is WSSCAEYUTHNVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-12(15)14(10(2)3)9-11-5-7-13-8-6-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate?
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 79721032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).