tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate

C18H37N3O2 — CID 103720766

IUPACtert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate
SMILESCCCN(CC)CCNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-6-11-20(7-2)13-10-19-14-16-9-8-12-21(15-16)17(22)23-18(3,4)5/h16,19H,6-15H2,1-5H3
InChIKeyNMIZTCMZJVXCOV-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.95
Rot. Bonds8

About tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 103720766) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate
PubChem CID103720766
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate
SMILESCCCN(CC)CCNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-6-11-20(7-2)13-10-19-14-16-9-8-12-21(15-16)17(22)23-18(3,4)5/h16,19H,6-15H2,1-5H3
InChIKeyNMIZTCMZJVXCOV-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
tert-butyl 3-[[[ethyl(methyl)carbamoyl]amino]methyl]piperidine-1-carboxylate
CID 71934310
tert-butyl 3-[(4-methylsulfanylbutylamino)methyl]piperidine-1-carboxylate
CID 115639323
tert-butyl 3-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625113
tert-butyl 3-[(3-methylsulfinylbutylamino)methyl]piperidine-1-carboxylate
CID 103778446
tert-butyl 3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate
CID 111227263
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-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate (CID 103720766) is tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate is CCCN(CC)CCNCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is NMIZTCMZJVXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-6-11-20(7-2)13-10-19-14-16-9-8-12-21(15-16)17(22)23-18(3,4)5/h16,19H,6-15H2,1-5H3.
What are the key properties of tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 327.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-[ethyl(propyl)amino]ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103720766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).