tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate

C18H34N2O3 — CID 91018778

IUPACtert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
SMILESCOC1(C)CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)19-14-8-12-20(13-9-14)15-6-10-18(4,22-5)11-7-15/h14-15H,6-13H2,1-5H3,(H,19,21)
InChIKeyYFFCPASZMUJLFI-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate (PubChem CID 91018778) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
PubChem CID91018778
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
SMILESCOC1(C)CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)19-14-8-12-20(13-9-14)15-6-10-18(4,22-5)11-7-15/h14-15H,6-13H2,1-5H3,(H,19,21)
InChIKeyYFFCPASZMUJLFI-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
CID 90063142
tert-butyl N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]carbamate
CID 172628112
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
CID 126619796
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate (CID 91018778) is tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate is COC1(C)CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate?
The InChIKey is YFFCPASZMUJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)19-14-8-12-20(13-9-14)15-6-10-18(4,22-5)11-7-15/h14-15H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 91018778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).