ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate

C13H26N2O3 — CID 66089911

IUPACethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)CCO)CC1
InChIInChI=1S/C13H26N2O3/c1-3-18-13(17)15-7-4-12(5-8-15)14-10-11(2)6-9-16/h11-12,14,16H,3-10H2,1-2H3
InChIKeySVMBRWLAKVZZPQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.22
Rot. Bonds6

About ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate (PubChem CID 66089911) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
PubChem CID66089911
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)CCO)CC1
InChIInChI=1S/C13H26N2O3/c1-3-18-13(17)15-7-4-12(5-8-15)14-10-11(2)6-9-16/h11-12,14,16H,3-10H2,1-2H3
InChIKeySVMBRWLAKVZZPQ-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate (CID 66089911) is ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(C)CCO)CC1.
What is the InChIKey of ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate?
The InChIKey is SVMBRWLAKVZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-18-13(17)15-7-4-12(5-8-15)14-10-11(2)6-9-16/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 66089911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).