ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate

C18H34N2O3 — CID 166990443

IUPACethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1COC1CCC(C(C)C)CC1
InChIInChI=1S/C18H34N2O3/c1-4-22-18(21)20-11-5-6-16(19)17(20)12-23-15-9-7-14(8-10-15)13(2)3/h13-17H,4-12,19H2,1-3H3
InChIKeyZSJLSJYPWBJTJQ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.17
Rot. Bonds5

About ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate

ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate (PubChem CID 166990443) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
PubChem CID166990443
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nameethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1COC1CCC(C(C)C)CC1
InChIInChI=1S/C18H34N2O3/c1-4-22-18(21)20-11-5-6-16(19)17(20)12-23-15-9-7-14(8-10-15)13(2)3/h13-17H,4-12,19H2,1-3H3
InChIKeyZSJLSJYPWBJTJQ-UHFFFAOYSA-N
XLogP3.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 166854054
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378
[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854080
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386
1-[(2R,3S)-3-amino-2-[[4-(2,6-dimethylphenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854217
butyl 3-amino-2-[[4-(3-hydroxyphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate;ethane
CID 163370217
methyl 3-amino-2-[[1-(1,2,3,4-tetrahydropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 166990167
methyl (2R)-3-amino-2-[[4-(2,3,5-trifluorophenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 166854002
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
N-[1-(oxetane-3-carbonyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310402
1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]propane-1,2-dione
CID 166854291

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate (CID 166990443) is ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(N)C1COC1CCC(C(C)C)CC1.
What is the InChIKey of ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is ZSJLSJYPWBJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-4-22-18(21)20-11-5-6-16(19)17(20)12-23-15-9-7-14(8-10-15)13(2)3/h13-17H,4-12,19H2,1-3H3.
What are the key properties of ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166990443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).