tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate

C19H36N2O3 — CID 176864118

IUPACtert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
SMILESCNCC1CCC(COC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O3/c1-19(2,3)24-18(22)21-11-9-17(10-12-21)23-14-16-7-5-15(6-8-16)13-20-4/h15-17,20H,5-14H2,1-4H3
InChIKeyPKZMJENYRXNORU-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate (PubChem CID 176864118) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
PubChem CID176864118
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
SMILESCNCC1CCC(COC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O3/c1-19(2,3)24-18(22)21-11-9-17(10-12-21)23-14-16-7-5-15(6-8-16)13-20-4/h15-17,20H,5-14H2,1-4H3
InChIKeyPKZMJENYRXNORU-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-[2-(piperidin-4-yloxy)ethyl]piperidine-1-carboxylate
CID 165673908
Tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 75503508
2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 54335628
tert-Butyl 4-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71305746
Tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
[1-Cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethyl] piperazine-1-carboxylate
CID 91366764
Tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 135237411
tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 146475899
Tert-butyl 4-{[trans-4-(aminomethyl)cyclohexyl]oxy}piperidine-1-carboxylate
CID 146599311
Tert-butyl 3-[2-(oxan-4-ylamino)propyl]-4-(propan-2-ylamino)piperidine-1-carboxylate
CID 154962644
Tert-butyl 4-(3-methylcyclohexyl)oxypiperidine-1-carboxylate
CID 158517998
Tert-butyl 4-(3-piperidin-4-yloxypropyl)piperidine-1-carboxylate
CID 166066201

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate (CID 176864118) is tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate is CNCC1CCC(COC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The InChIKey is PKZMJENYRXNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-19(2,3)24-18(22)21-11-9-17(10-12-21)23-14-16-7-5-15(6-8-16)13-20-4/h15-17,20H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(methylaminomethyl)cyclohexyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 176864118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).