tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate

C17H34N4O2 — CID 134434441

IUPACtert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1CC1(N)CCN(C)CC1
InChIInChI=1S/C17H34N4O2/c1-14-12-20(15(22)23-16(2,3)4)10-11-21(14)13-17(18)6-8-19(5)9-7-17/h14H,6-13,18H2,1-5H3
InChIKeyFMFOKSWQFIPMNK-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate

tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate (PubChem CID 134434441) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
PubChem CID134434441
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Nametert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1CC1(N)CCN(C)CC1
InChIInChI=1S/C17H34N4O2/c1-14-12-20(15(22)23-16(2,3)4)10-11-21(14)13-17(18)6-8-19(5)9-7-17/h14H,6-13,18H2,1-5H3
InChIKeyFMFOKSWQFIPMNK-UHFFFAOYSA-N
XLogP1.35
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate (CID 134434441) is tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCN1CC1(N)CCN(C)CC1.
What is the InChIKey of tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate?
The InChIKey is FMFOKSWQFIPMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-14-12-20(15(22)23-16(2,3)4)10-11-21(14)13-17(18)6-8-19(5)9-7-17/h14H,6-13,18H2,1-5H3.
What are the key properties of tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate?
tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate has a molecular weight of 326.49 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 134434441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).