tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate

C14H28N2O2 — CID 83990962

IUPACtert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CC(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-6-7-15-12-8-11(2)9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyREFXGMCVMICVKS-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate

tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate (PubChem CID 83990962) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
PubChem CID83990962
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CC(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-6-7-15-12-8-11(2)9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyREFXGMCVMICVKS-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(propylamino)piperidine-1-carboxylate
CID 58355640
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
CID 63303169
tert-butyl (3S,5R)-3-methyl-5-(2,2,2-trichloroethoxycarbonylamino)piperidine-1-carboxylate
CID 143793103
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
CID 112541295
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate (CID 83990962) is tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate is CCCNC1CC(C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate?
The InChIKey is REFXGMCVMICVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-15-12-8-11(2)9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate?
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83990962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).