1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine

C15H28N2 — CID 79552323

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-16-10-12-4-6-17(7-5-12)11-15-9-13-2-3-14(15)8-13/h12-16H,2-11H2,1H3
InChIKeyZTKHWIVJMCSIIX-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 79552323) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID79552323
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-16-10-12-4-6-17(7-5-12)11-15-9-13-2-3-14(15)8-13/h12-16H,2-11H2,1H3
InChIKeyZTKHWIVJMCSIIX-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]butanenitrile
CID 79551779
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine (CID 79552323) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is ZTKHWIVJMCSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-16-10-12-4-6-17(7-5-12)11-15-9-13-2-3-14(15)8-13/h12-16H,2-11H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79552323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).