tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine

C17H36N4O2 — CID 67744598

IUPACtert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CNC1CCNCC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-7-6-2-4-8-5-3-6/h9H,4-8,12H2,1-3H3;6-8H,2-5H2,1H3
InChIKeyIULKXXMSUPEOMA-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.55
Rot. Bonds2

About tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine (PubChem CID 67744598) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine
PubChem CID67744598
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CNC1CCNCC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-7-6-2-4-8-5-3-6/h9H,4-8,12H2,1-3H3;6-8H,2-5H2,1H3
InChIKeyIULKXXMSUPEOMA-UHFFFAOYSA-N
XLogP1.55
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 3-[(piperidin-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242457
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
tert-butyl 3-[2-(azepan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249100
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069
tert-butyl 4-(2-oxopentyl)piperidine-1-carboxylate;1-piperidin-4-ylpentan-2-one;hydrochloride
CID 163426470

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine?
The IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine (CID 67744598) is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine.
What is the SMILES notation for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine?
The canonical SMILES for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine is CC(C)(C)OC(=O)N1CCC(CN)CC1.CNC1CCNCC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine?
The InChIKey is IULKXXMSUPEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-7-6-2-4-8-5-3-6/h9H,4-8,12H2,1-3H3;6-8H,2-5H2,1H3.
What are the key properties of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine?
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine has a molecular weight of 328.50 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine is sourced from PubChem (CID 67744598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).