[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C15H29N3 — CID 62331378

IUPAC[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)C(C)C1
InChIInChI=1S/C15H29N3/c1-12-3-8-18(13(2)9-12)15(10-16)11-17-6-4-14(15)5-7-17/h12-14H,3-11,16H2,1-2H3
InChIKeyXHARTYZFMPZQHA-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.53
Rot. Bonds2

About [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 62331378) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID62331378
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)C(C)C1
InChIInChI=1S/C15H29N3/c1-12-3-8-18(13(2)9-12)15(10-16)11-17-6-4-14(15)5-7-17/h12-14H,3-11,16H2,1-2H3
InChIKeyXHARTYZFMPZQHA-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43121734
[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 61226965
[1-(2,4-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661194
[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 103494661
[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62331186
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
[1-(2,4-dimethylpiperidin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705152
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[1-(2,4-dimethylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 64500735
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 63465982

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 62331378) is [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC1CCN(C2(CN)CN3CCC2CC3)C(C)C1.
What is the InChIKey of [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is XHARTYZFMPZQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-3-8-18(13(2)9-12)15(10-16)11-17-6-4-14(15)5-7-17/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 62331378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).