3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride

C22H34ClN — CID 138398579

IUPAC3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
SMILESCl.c1ccc(C2(N3CCC4(CCCCC4)CC3)CCCCC2)cc1
InChIInChI=1S/C22H33N.ClH/c1-4-10-20(11-5-1)22(14-8-3-9-15-22)23-18-16-21(17-19-23)12-6-2-7-13-21;/h1,4-5,10-11H,2-3,6-9,12-19H2;1H
InChIKeyUQDVOSQWAYRKDR-UHFFFAOYSA-N
MW347.97 g/mol
LogP6.31
Rot. Bonds2

About 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride

3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride (PubChem CID 138398579) has the molecular formula C22H34ClN and a molecular weight of 347.97 g/mol. Its IUPAC name is 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
PubChem CID138398579
Molecular FormulaC22H34ClN
Molecular Weight347.97 g/mol
Exact Mass347.24
IUPAC Name3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
SMILESCl.c1ccc(C2(N3CCC4(CCCCC4)CC3)CCCCC2)cc1
InChIInChI=1S/C22H33N.ClH/c1-4-10-20(11-5-1)22(14-8-3-9-15-22)23-18-16-21(17-19-23)12-6-2-7-13-21;/h1,4-5,10-11H,2-3,6-9,12-19H2;1H
InChIKeyUQDVOSQWAYRKDR-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.97
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
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4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline
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(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine
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3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride (CID 138398579) is 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride is Cl.c1ccc(C2(N3CCC4(CCCCC4)CC3)CCCCC2)cc1.
What is the InChIKey of 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is UQDVOSQWAYRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N.ClH/c1-4-10-20(11-5-1)22(14-8-3-9-15-22)23-18-16-21(17-19-23)12-6-2-7-13-21;/h1,4-5,10-11H,2-3,6-9,12-19H2;1H.
What are the key properties of 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride?
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 347.97 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 138398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).