1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine

C14H30N2O2 — CID 143843368

IUPAC1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
SMILESCN1CCC(C=O)CC1.CNCCCOC(C)C
InChIInChI=1S/C7H13NO.C7H17NO/c1-8-4-2-7(6-9)3-5-8;1-7(2)9-6-4-5-8-3/h6-7H,2-5H2,1H3;7-8H,4-6H2,1-3H3
InChIKeyYAQDQMDQIGFNMP-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.55
Rot. Bonds6

About 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine

1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine (PubChem CID 143843368) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
PubChem CID143843368
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
SMILESCN1CCC(C=O)CC1.CNCCCOC(C)C
InChIInChI=1S/C7H13NO.C7H17NO/c1-8-4-2-7(6-9)3-5-8;1-7(2)9-6-4-5-8-3/h6-7H,2-5H2,1H3;7-8H,4-6H2,1-3H3
InChIKeyYAQDQMDQIGFNMP-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
CID 167464269
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-methylazepane-4-carbaldehyde
CID 82418035
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525308
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine (CID 143843368) is 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine is CN1CCC(C=O)CC1.CNCCCOC(C)C.
What is the InChIKey of 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is YAQDQMDQIGFNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C7H17NO/c1-8-4-2-7(6-9)3-5-8;1-7(2)9-6-4-5-8-3/h6-7H,2-5H2,1H3;7-8H,4-6H2,1-3H3.
What are the key properties of 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine?
1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 143843368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).