ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate

C12H24N2O2 — CID 61244108

IUPACethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-10(3)14-12(11(15)16-5-2)6-8-13-9-7-12/h10,13-14H,4-9H2,1-3H3
InChIKeyYHMNUQDWKWFRQY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate

ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate (PubChem CID 61244108) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
PubChem CID61244108
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-10(3)14-12(11(15)16-5-2)6-8-13-9-7-12/h10,13-14H,4-9H2,1-3H3
InChIKeyYHMNUQDWKWFRQY-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013
ethyl 1-(butan-2-ylamino)-4-propylcycloheptane-1-carboxylate
CID 65089169
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 60787165
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate (CID 61244108) is ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate is CCOC(=O)C1(NC(C)CC)CCNCC1.
What is the InChIKey of ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate?
The InChIKey is YHMNUQDWKWFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(3)14-12(11(15)16-5-2)6-8-13-9-7-12/h10,13-14H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate?
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate is sourced from PubChem (CID 61244108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).