4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine

C23H27N3 — CID 142179583

IUPAC4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine
SMILESCC1CCN(Cc2cc(Cc3ccc(N)c4ccccc34)ccn2)CC1
InChIInChI=1S/C23H27N3/c1-17-9-12-26(13-10-17)16-20-15-18(8-11-25-20)14-19-6-7-23(24)22-5-3-2-4-21(19)22/h2-8,11,15,17H,9-10,12-14,16,24H2,1H3
InChIKeyIUYTVHHFDVFUHC-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.64
Rot. Bonds4

About 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine

4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine (PubChem CID 142179583) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine
PubChem CID142179583
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine
SMILESCC1CCN(Cc2cc(Cc3ccc(N)c4ccccc34)ccn2)CC1
InChIInChI=1S/C23H27N3/c1-17-9-12-26(13-10-17)16-20-15-18(8-11-25-20)14-19-6-7-23(24)22-5-3-2-4-21(19)22/h2-8,11,15,17H,9-10,12-14,16,24H2,1H3
InChIKeyIUYTVHHFDVFUHC-UHFFFAOYSA-N
XLogP4.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine?
The IUPAC name of 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine (CID 142179583) is 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine.
What is the SMILES notation for 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine?
The canonical SMILES for 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine is CC1CCN(Cc2cc(Cc3ccc(N)c4ccccc34)ccn2)CC1.
What is the InChIKey of 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine?
The InChIKey is IUYTVHHFDVFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-17-9-12-26(13-10-17)16-20-15-18(8-11-25-20)14-19-6-7-23(24)22-5-3-2-4-21(19)22/h2-8,11,15,17H,9-10,12-14,16,24H2,1H3.
What are the key properties of 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine?
4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine has a molecular weight of 345.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine is sourced from PubChem (CID 142179583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).