1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride

C21H30Cl2N2O — CID 68854522

IUPAC1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(c2cccc3ccccc23)C2(O)CCC2)CC1
InChIInChI=1S/C21H28N2O.2ClH/c22-17-9-13-23(14-10-17)15-20(21(24)11-4-12-21)19-8-3-6-16-5-1-2-7-18(16)19;;/h1-3,5-8,17,20,24H,4,9-15,22H2;2*1H
InChIKeyVEALBBNLMSGRDL-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride

1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride (PubChem CID 68854522) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
PubChem CID68854522
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(c2cccc3ccccc23)C2(O)CCC2)CC1
InChIInChI=1S/C21H28N2O.2ClH/c22-17-9-13-23(14-10-17)15-20(21(24)11-4-12-21)19-8-3-6-16-5-1-2-7-18(16)19;;/h1-3,5-8,17,20,24H,4,9-15,22H2;2*1H
InChIKeyVEALBBNLMSGRDL-UHFFFAOYSA-N
XLogP4.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride with MolForge

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Related Compounds

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1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
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CID 103451980
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-(4-ethylpiperidin-1-yl)-1-naphthalen-1-ylethanamine
CID 61420704
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride (CID 68854522) is 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride is Cl.Cl.NC1CCN(CC(c2cccc3ccccc23)C2(O)CCC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride?
The InChIKey is VEALBBNLMSGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c22-17-9-13-23(14-10-17)15-20(21(24)11-4-12-21)19-8-3-6-16-5-1-2-7-18(16)19;;/h1-3,5-8,17,20,24H,4,9-15,22H2;2*1H.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride?
1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride is sourced from PubChem (CID 68854522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).