2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C19H24ClN3 — CID 120908518

IUPAC2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(-c2cccc(CN3CCC4(CCNC4)C3)c2)nc1
InChIInChI=1S/C19H23N3.ClH/c1-2-9-21-18(6-1)17-5-3-4-16(12-17)13-22-11-8-19(15-22)7-10-20-14-19;/h1-6,9,12,20H,7-8,10-11,13-15H2;1H
InChIKeyWZAOPAFMUJIXSN-UHFFFAOYSA-N
MW329.88 g/mol
LogP3.36
Rot. Bonds3

About 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908518) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908518
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(-c2cccc(CN3CCC4(CCNC4)C3)c2)nc1
InChIInChI=1S/C19H23N3.ClH/c1-2-9-21-18(6-1)17-5-3-4-16(12-17)13-22-11-8-19(15-22)7-10-20-14-19;/h1-6,9,12,20H,7-8,10-11,13-15H2;1H
InChIKeyWZAOPAFMUJIXSN-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908518) is 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1ccc(-c2cccc(CN3CCC4(CCNC4)C3)c2)nc1.
What is the InChIKey of 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is WZAOPAFMUJIXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.ClH/c1-2-9-21-18(6-1)17-5-3-4-16(12-17)13-22-11-8-19(15-22)7-10-20-14-19;/h1-6,9,12,20H,7-8,10-11,13-15H2;1H.
What are the key properties of 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 329.88 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).