tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate

C17H32N2O2 — CID 18318102

IUPACtert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(C2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3
InChIKeyMPRSARYDUOMGHY-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate (PubChem CID 18318102) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate
PubChem CID18318102
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(C2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3
InChIKeyMPRSARYDUOMGHY-UHFFFAOYSA-N
XLogP3.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate (CID 18318102) is tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate?
The InChIKey is MPRSARYDUOMGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate is sourced from PubChem (CID 18318102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).