2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde

C19H36N2O3 — CID 156707450

IUPAC2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde
SMILESCC(C)C.CC(C)C(=O)N1CCC(OC2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H26N2O3.C4H10/c1-12(2)15(19)17-9-5-14(6-10-17)20-13-3-7-16(11-18)8-4-13;1-4(2)3/h11-14H,3-10H2,1-2H3;4H,1-3H3
InChIKeyYILMZQIDCGOLDV-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.93
Rot. Bonds4

About 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde

2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde (PubChem CID 156707450) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde
PubChem CID156707450
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde
SMILESCC(C)C.CC(C)C(=O)N1CCC(OC2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H26N2O3.C4H10/c1-12(2)15(19)17-9-5-14(6-10-17)20-13-3-7-16(11-18)8-4-13;1-4(2)3/h11-14H,3-10H2,1-2H3;4H,1-3H3
InChIKeyYILMZQIDCGOLDV-UHFFFAOYSA-N
XLogP2.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
ethane;(E)-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]pent-2-en-1-one
CID 156707517
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
CID 138648412
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
4-propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde?
The IUPAC name of 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde (CID 156707450) is 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde.
What is the SMILES notation for 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde?
The canonical SMILES for 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde is CC(C)C.CC(C)C(=O)N1CCC(OC2CCN(C=O)CC2)CC1.
What is the InChIKey of 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde?
The InChIKey is YILMZQIDCGOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3.C4H10/c1-12(2)15(19)17-9-5-14(6-10-17)20-13-3-7-16(11-18)8-4-13;1-4(2)3/h11-14H,3-10H2,1-2H3;4H,1-3H3.
What are the key properties of 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde?
2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde has a molecular weight of 340.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde is sourced from PubChem (CID 156707450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).