(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride

C22H33ClN2O — CID 120989837

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-22(19-9-3-2-4-10-19)11-6-12-24(15-22)21(25)18-13-16-7-5-8-17(14-18)20(16)23;/h2-4,9-10,16-18,20H,5-8,11-15,23H2,1H3;1H
InChIKeyPZQQQCLPUOAFST-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.14
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 120989837) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
PubChem CID120989837
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl
InChIInChI=1S/C22H32N2O.ClH/c1-22(19-9-3-2-4-10-19)11-6-12-24(15-22)21(25)18-13-16-7-5-8-17(14-18)20(16)23;/h2-4,9-10,16-18,20H,5-8,11-15,23H2,1H3;1H
InChIKeyPZQQQCLPUOAFST-UHFFFAOYSA-N
XLogP4.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride (CID 120989837) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride is CC1(c2ccccc2)CCCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is PZQQQCLPUOAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.ClH/c1-22(19-9-3-2-4-10-19)11-6-12-24(15-22)21(25)18-13-16-7-5-8-17(14-18)20(16)23;/h2-4,9-10,16-18,20H,5-8,11-15,23H2,1H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 376.97 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120989837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).