tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate

C14H29N3O2 — CID 107246551

IUPACtert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(CN)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-11(8-15)16-9-12-6-5-7-17(10-12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyGQXPHSYSPWGNBI-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 107246551) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID107246551
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(CN)NCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-11(8-15)16-9-12-6-5-7-17(10-12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyGQXPHSYSPWGNBI-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103700546
tert-butyl 3-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 104582153
tert-butyl 3-[(4-methylsulfinylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 103766113
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 3-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564087
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552209
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552208
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564161
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate (CID 107246551) is tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate is CC(CN)NCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is GQXPHSYSPWGNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(8-15)16-9-12-6-5-7-17(10-12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 107246551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).