9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane

C22H41N3 — CID 175622855

IUPAC9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
SMILESCC1CCN(C2CCC3(CC2)CCN(CC2CCNCC2)CC3)CC1
InChIInChI=1S/C22H41N3/c1-19-6-14-25(15-7-19)21-2-8-22(9-3-21)10-16-24(17-11-22)18-20-4-12-23-13-5-20/h19-21,23H,2-18H2,1H3
InChIKeyDSWIIRDSGYIHCS-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.74
Rot. Bonds3

About 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane

9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane (PubChem CID 175622855) has the molecular formula C22H41N3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
PubChem CID175622855
Molecular FormulaC22H41N3
Molecular Weight347.59 g/mol
Exact Mass347.33
IUPAC Name9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
SMILESCC1CCN(C2CCC3(CC2)CCN(CC2CCNCC2)CC3)CC1
InChIInChI=1S/C22H41N3/c1-19-6-14-25(15-7-19)21-2-8-22(9-3-21)10-16-24(17-11-22)18-20-4-12-23-13-5-20/h19-21,23H,2-18H2,1H3
InChIKeyDSWIIRDSGYIHCS-UHFFFAOYSA-N
XLogP3.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane (CID 175622855) is 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane is CC1CCN(C2CCC3(CC2)CCN(CC2CCNCC2)CC3)CC1.
What is the InChIKey of 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane?
The InChIKey is DSWIIRDSGYIHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3/c1-19-6-14-25(15-7-19)21-2-8-22(9-3-21)10-16-24(17-11-22)18-20-4-12-23-13-5-20/h19-21,23H,2-18H2,1H3.
What are the key properties of 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane?
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane has a molecular weight of 347.59 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 175622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).