methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate

C15H28N2O3 — CID 64533750

IUPACmethyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17-8-9-20-14(11-17)10-16-6-4-13(5-7-16)15(18)19-3/h12-14H,4-11H2,1-3H3
InChIKeyJYLHOZFNIWJNAR-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.98
Rot. Bonds4

About methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate

methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 64533750) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
PubChem CID64533750
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17-8-9-20-14(11-17)10-16-6-4-13(5-7-16)15(18)19-3/h12-14H,4-11H2,1-3H3
InChIKeyJYLHOZFNIWJNAR-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
CID 120983013
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate (CID 64533750) is methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC2CN(C(C)C)CCO2)CC1.
What is the InChIKey of methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is JYLHOZFNIWJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)17-8-9-20-14(11-17)10-16-6-4-13(5-7-16)15(18)19-3/h12-14H,4-11H2,1-3H3.
What are the key properties of methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 64533750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).