tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate

C18H34N2O2 — CID 103730078

IUPACtert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CCCCC1NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14-7-5-6-8-16(14)19-13-15-9-11-20(12-10-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyPQYOAAYBVAWISS-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103730078) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
PubChem CID103730078
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CCCCC1NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14-7-5-6-8-16(14)19-13-15-9-11-20(12-10-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyPQYOAAYBVAWISS-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 97226565
tert-butyl 4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 103766002
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748309
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[(2-methylcycloheptyl)amino]azepane-1-carboxylate
CID 103982358
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
4-(cyclopropylmethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 154574961

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate (CID 103730078) is tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate is CC1CCCCC1NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is PQYOAAYBVAWISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-7-5-6-8-16(14)19-13-15-9-11-20(12-10-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).