tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate

C17H32N2O2 — CID 115071804

IUPACtert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CC2(N)CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-7-8-14(13-19)12-17(18)9-5-4-6-10-17/h14H,4-13,18H2,1-3H3
InChIKeyJJVJNPUKDGZFTQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.69
Rot. Bonds2

About tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate

tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate (PubChem CID 115071804) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate
PubChem CID115071804
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CC2(N)CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-7-8-14(13-19)12-17(18)9-5-4-6-10-17/h14H,4-13,18H2,1-3H3
InChIKeyJJVJNPUKDGZFTQ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(1-aminocyclohexyl)methyl]pyrrolidine-1-carboxylate
CID 115071806
tert-butyl 3-[(1-aminocyclopentyl)methyl]pyrrolidine-1-carboxylate
CID 115071799
tert-butyl 3-[(1-aminocyclopropyl)methyl]azepane-1-carboxylate
CID 83913532
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(1-aminocyclopentyl)piperidine-1-carboxylate
CID 115071767
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
CID 165459517
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate (CID 115071804) is tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CC2(N)CCCCC2)C1.
What is the InChIKey of tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate?
The InChIKey is JJVJNPUKDGZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-11-7-8-14(13-19)12-17(18)9-5-4-6-10-17/h14H,4-13,18H2,1-3H3.
What are the key properties of tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 115071804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).