tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate

C17H32N2O3 — CID 146599311

IUPACtert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h13-15H,4-12,18H2,1-3H3
InChIKeyHBMYAXXCNRHAQB-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate

tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate (PubChem CID 146599311) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate
PubChem CID146599311
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h13-15H,4-12,18H2,1-3H3
InChIKeyHBMYAXXCNRHAQB-UHFFFAOYSA-N
XLogP2.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate (CID 146599311) is tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CCC(CN)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate?
The InChIKey is HBMYAXXCNRHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h13-15H,4-12,18H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate?
tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(aminomethyl)cyclohexyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 146599311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).