2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine

C15H25N3 — CID 117024792

IUPAC2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
SMILESCC1(C)CN(Cc2ccccn2)CCC1CCN
InChIInChI=1S/C15H25N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-8,10-12,16H2,1-2H3
InChIKeyHBTHZEJEVRLGKE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.28
Rot. Bonds4

About 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine

2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine (PubChem CID 117024792) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
PubChem CID117024792
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
SMILESCC1(C)CN(Cc2ccccn2)CCC1CCN
InChIInChI=1S/C15H25N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-8,10-12,16H2,1-2H3
InChIKeyHBTHZEJEVRLGKE-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
CID 117024733
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
2-[4-(2-aminoethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024828
CID 59694740
CID 59694740
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine (CID 117024792) is 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine is CC1(C)CN(Cc2ccccn2)CCC1CCN.
What is the InChIKey of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine?
The InChIKey is HBTHZEJEVRLGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-8,10-12,16H2,1-2H3.
What are the key properties of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine?
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 117024792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).