1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine

C27H36N4 — CID 153403451

IUPAC1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
SMILESCCN1CCN(c2ccccn2)CC1.CN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N.C11H17N3/c1-17-11-9-14(10-12-17)16-8-4-6-13-5-2-3-7-15(13)16;1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11/h2-8,14H,9-12H2,1H3;3-6H,2,7-10H2,1H3
InChIKeyXRKAPTZSFCPKMP-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.87
Rot. Bonds3

About 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine

1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine (PubChem CID 153403451) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine.

Molecular Properties

Compound Name1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
PubChem CID153403451
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC Name1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
SMILESCCN1CCN(c2ccccn2)CC1.CN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N.C11H17N3/c1-17-11-9-14(10-12-17)16-8-4-6-13-5-2-3-7-15(13)16;1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11/h2-8,14H,9-12H2,1H3;3-6H,2,7-10H2,1H3
InChIKeyXRKAPTZSFCPKMP-UHFFFAOYSA-N
XLogP4.87
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline
CID 71070118
1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine
CID 82171508
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine?
The IUPAC name of 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine (CID 153403451) is 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine.
What is the SMILES notation for 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine?
The canonical SMILES for 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine is CCN1CCN(c2ccccn2)CC1.CN1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine?
The InChIKey is XRKAPTZSFCPKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C11H17N3/c1-17-11-9-14(10-12-17)16-8-4-6-13-5-2-3-7-15(13)16;1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11/h2-8,14H,9-12H2,1H3;3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine?
1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine has a molecular weight of 416.61 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine is sourced from PubChem (CID 153403451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).