tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate

C14H28N2O2 — CID 165463661

IUPACtert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
SMILESCCCNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-8-15-10-12-7-6-9-16(11-12)13(17)18-14(2,3)4/h12,15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYXQOQFOIJDVIAM-GFCCVEGCSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate

tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate (PubChem CID 165463661) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
PubChem CID165463661
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
SMILESCCCNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-8-15-10-12-7-6-9-16(11-12)13(17)18-14(2,3)4/h12,15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYXQOQFOIJDVIAM-GFCCVEGCSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate
CID 103720766
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate
CID 111227263
tert-butyl 3-[(4-methylsulfanylbutylamino)methyl]piperidine-1-carboxylate
CID 115639323
tert-butyl 3-[(3-methylsulfinylbutylamino)methyl]piperidine-1-carboxylate
CID 103778446
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]piperidine-1-carboxylate
CID 103702169
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate (CID 165463661) is tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate is CCCNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate?
The InChIKey is YXQOQFOIJDVIAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-8-15-10-12-7-6-9-16(11-12)13(17)18-14(2,3)4/h12,15H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 165463661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).