4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal

C23H30N2O2 — CID 139906588

IUPAC4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal
SMILESCN(CCCC=O)CC1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O2/c1-24(13-4-5-16-26)18-19-11-14-25(15-12-19)23(27)17-21-9-6-8-20-7-2-3-10-22(20)21/h2-3,6-10,16,19H,4-5,11-15,17-18H2,1H3
InChIKeyOGFOYFANMHBVOY-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.53
Rot. Bonds8

About 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal

4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal (PubChem CID 139906588) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal.

Molecular Properties

Compound Name4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal
PubChem CID139906588
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal
SMILESCN(CCCC=O)CC1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30N2O2/c1-24(13-4-5-16-26)18-19-11-14-25(15-12-19)23(27)17-21-9-6-8-20-7-2-3-10-22(20)21/h2-3,6-10,16,19H,4-5,11-15,17-18H2,1H3
InChIKeyOGFOYFANMHBVOY-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[4-[[4-(hexylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906733
1-[4-[[4-(2-methylsulfanylethylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906610
1-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906616
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-[4-[[4-(cyclopropylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906618
1-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906615
1-[4-[[4-[(3-amino-2,2-dimethylpropyl)amino]butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906912
1-[4-[(6-cyclohexylhexylamino)methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906637
1-[4-[[4-(cyclooctylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906802
1-[4-[[4-[[1-(3-aminopropyl)piperidin-4-yl]methylamino]butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone;hydrochloride
CID 139906554
1-[4-[[4-[2-(4-hydroxyphenyl)ethylamino]butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906822
2-naphthalen-1-yl-1-[4-[[4-[[(2S)-pyrrolidin-2-yl]methylamino]butylamino]methyl]piperidin-1-yl]ethanone;hydrochloride
CID 139906866

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal?
The IUPAC name of 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal (CID 139906588) is 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal.
What is the SMILES notation for 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal?
The canonical SMILES for 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal is CN(CCCC=O)CC1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal?
The InChIKey is OGFOYFANMHBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-24(13-4-5-16-26)18-19-11-14-25(15-12-19)23(27)17-21-9-6-8-20-7-2-3-10-22(20)21/h2-3,6-10,16,19H,4-5,11-15,17-18H2,1H3.
What are the key properties of 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal?
4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal has a molecular weight of 366.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]methyl]amino]butanal is sourced from PubChem (CID 139906588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).