tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate

C16H31N3O2 — CID 107241583

IUPACtert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-6-13(7-10-19)11-18-14-5-4-8-17-12-14/h13-14,17-18H,4-12H2,1-3H3
InChIKeyFAJBKNJKWMRAIU-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 107241583) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
PubChem CID107241583
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-6-13(7-10-19)11-18-14-5-4-8-17-12-14/h13-14,17-18H,4-12H2,1-3H3
InChIKeyFAJBKNJKWMRAIU-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 3-[2-(piperidin-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249072
tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate
CID 107244203
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 3-[(piperidin-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242457
tert-butyl 4-[[(1-ethylpiperidin-3-yl)amino]methyl]piperidine-1-carboxylate
CID 103730187
tert-butyl 4-[(1-ethylpiperidin-4-yl)methylamino]azepane-1-carboxylate
CID 113361554
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 3-[2-(azepan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249100
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103730078
tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 97226565

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate (CID 107241583) is tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC2CCCNC2)CC1.
What is the InChIKey of tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is FAJBKNJKWMRAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-9-6-13(7-10-19)11-18-14-5-4-8-17-12-14/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 107241583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).