tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate

C20H38N2O3 — CID 86898816

IUPACtert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate
SMILESCC1CCCCC1OCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H38N2O3/c1-16-8-6-7-9-18(16)24-15-14-22-12-10-17(11-13-22)21(5)19(23)25-20(2,3)4/h16-18H,6-15H2,1-5H3
InChIKeyQRNGDWKQLOTGTN-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate (PubChem CID 86898816) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate
PubChem CID86898816
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Nametert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate
SMILESCC1CCCCC1OCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H38N2O3/c1-16-8-6-7-9-18(16)24-15-14-22-12-10-17(11-13-22)21(5)19(23)25-20(2,3)4/h16-18H,6-15H2,1-5H3
InChIKeyQRNGDWKQLOTGTN-UHFFFAOYSA-N
XLogP3.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
tert-butyl N-methyl-N-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]carbamate
CID 71861813
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052
4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxyethyl]piperazine-1-carboxylic acid
CID 138695041
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-[1-[2-(1,3-dioxo-4,5-dihydroisoindol-2-yl)ethyl]piperidin-4-yl]-N-methylcarbamate
CID 145346255

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate (CID 86898816) is tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate is CC1CCCCC1OCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate?
The InChIKey is QRNGDWKQLOTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-16-8-6-7-9-18(16)24-15-14-22-12-10-17(11-13-22)21(5)19(23)25-20(2,3)4/h16-18H,6-15H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate has a molecular weight of 354.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86898816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).