2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane

C20H37N3 — CID 170022851

IUPAC2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(C3CCN(CC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C20H37N3/c1-17-14-20(15-17)6-12-23(13-7-20)19-4-10-22(11-5-19)16-18-2-8-21-9-3-18/h17-19,21H,2-16H2,1H3
InChIKeyJQJCSIUIYLVXLF-UHFFFAOYSA-N
MW319.54 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane

2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane (PubChem CID 170022851) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
PubChem CID170022851
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(C3CCN(CC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C20H37N3/c1-17-14-20(15-17)6-12-23(13-7-20)19-4-10-22(11-5-19)16-18-2-8-21-9-3-18/h17-19,21H,2-16H2,1H3
InChIKeyJQJCSIUIYLVXLF-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
7-cyclopropyl-2-methyl-7-azaspiro[3.5]nonane
CID 164867891
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane (CID 170022851) is 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane is CC1CC2(CCN(C3CCN(CC4CCNCC4)CC3)CC2)C1.
What is the InChIKey of 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane?
The InChIKey is JQJCSIUIYLVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-17-14-20(15-17)6-12-23(13-7-20)19-4-10-22(11-5-19)16-18-2-8-21-9-3-18/h17-19,21H,2-16H2,1H3.
What are the key properties of 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane?
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane has a molecular weight of 319.54 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).