6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde

C17H19NO — CID 151129511

IUPAC6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
SMILESCC1CCN(c2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C17H19NO/c1-13-6-8-18(9-7-13)17-5-4-15-10-14(12-19)2-3-16(15)11-17/h2-5,10-13H,6-9H2,1H3
InChIKeyMTXBFTGNVLOFHU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.89
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde

6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde (PubChem CID 151129511) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
PubChem CID151129511
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
SMILESCC1CCN(c2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C17H19NO/c1-13-6-8-18(9-7-13)17-5-4-15-10-14(12-19)2-3-16(15)11-17/h2-5,10-13H,6-9H2,1H3
InChIKeyMTXBFTGNVLOFHU-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)benzaldehyde
CID 84758563
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
naphthalene-2,6-dicarbaldehyde
CID 159038637
1-cyclobutyl-4-methylpiperidine;ethane;6-formylnaphthalene-2-carbonitrile
CID 145119091
6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
CID 90026924
3-(3-methylazetidin-1-yl)benzaldehyde
CID 106913682
2-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 79678383
[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
(E)-4-(6-pyrrolidin-1-ylnaphthalen-2-yl)but-3-en-2-one
CID 25266481
ethane;4-methyl-1-phenylpiperidine
CID 143180672
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 172755774
4-(2-methylazetidin-1-yl)benzaldehyde
CID 106913616

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde (CID 151129511) is 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde is CC1CCN(c2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde?
The InChIKey is MTXBFTGNVLOFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-6-8-18(9-7-13)17-5-4-15-10-14(12-19)2-3-16(15)11-17/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde?
6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde has a molecular weight of 253.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 151129511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).