7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane

C12H22N2 — CID 131123539

IUPAC7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
SMILESC1CCC(CN2C3CCC2CC3)NC1
InChIInChI=1S/C12H22N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h10-13H,1-9H2
InChIKeyUSPFHEKWZUPIRJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.76
Rot. Bonds2

About 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane

7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 131123539) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
PubChem CID131123539
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
SMILESC1CCC(CN2C3CCC2CC3)NC1
InChIInChI=1S/C12H22N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h10-13H,1-9H2
InChIKeyUSPFHEKWZUPIRJ-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130834643
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
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2-(pyrrol-1-ylmethyl)piperidine
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2-ethylpiperidine;hydrobromide
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2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
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(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
CID 53408908
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 156593490
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane (CID 131123539) is 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane is C1CCC(CN2C3CCC2CC3)NC1.
What is the InChIKey of 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is USPFHEKWZUPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h10-13H,1-9H2.
What are the key properties of 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 194.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131123539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).