1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride

C20H37ClN2S — CID 10044838

IUPAC1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride
SMILESCC12CCC(N3CCCCC3)C(C)(CCC1N1CCCCC1)S2.Cl
InChIInChI=1S/C20H36N2S.ClH/c1-19-11-9-18(22-15-7-4-8-16-22)20(2,23-19)12-10-17(19)21-13-5-3-6-14-21;/h17-18H,3-16H2,1-2H3;1H
InChIKeyHKZJDCVQYJRCRK-UHFFFAOYSA-N
MW373.05 g/mol
LogP4.96
Rot. Bonds2

About 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride

1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride (PubChem CID 10044838) has the molecular formula C20H37ClN2S and a molecular weight of 373.05 g/mol. Its IUPAC name is 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride
PubChem CID10044838
Molecular FormulaC20H37ClN2S
Molecular Weight373.05 g/mol
Exact Mass372.24
IUPAC Name1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride
SMILESCC12CCC(N3CCCCC3)C(C)(CCC1N1CCCCC1)S2.Cl
InChIInChI=1S/C20H36N2S.ClH/c1-19-11-9-18(22-15-7-4-8-16-22)20(2,23-19)12-10-17(19)21-13-5-3-6-14-21;/h17-18H,3-16H2,1-2H3;1H
InChIKeyHKZJDCVQYJRCRK-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride?
The IUPAC name of 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride (CID 10044838) is 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride is CC12CCC(N3CCCCC3)C(C)(CCC1N1CCCCC1)S2.Cl.
What is the InChIKey of 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride?
The InChIKey is HKZJDCVQYJRCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2S.ClH/c1-19-11-9-18(22-15-7-4-8-16-22)20(2,23-19)12-10-17(19)21-13-5-3-6-14-21;/h17-18H,3-16H2,1-2H3;1H.
What are the key properties of 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride?
1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride has a molecular weight of 373.05 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-6-piperidin-1-yl-9-thiabicyclo[3.3.1]nonan-2-yl)piperidine;hydrochloride is sourced from PubChem (CID 10044838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).