[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C15H28N2O2 — CID 112622300

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOC1CCN(C(=O)C2C(C)(C)C2(C)C)C(CN)C1
InChIInChI=1S/C15H28N2O2/c1-14(2)12(15(14,3)4)13(18)17-7-6-11(19-5)8-10(17)9-16/h10-12H,6-9,16H2,1-5H3
InChIKeyNCKDPUCCTPKACK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 112622300) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID112622300
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOC1CCN(C(=O)C2C(C)(C)C2(C)C)C(CN)C1
InChIInChI=1S/C15H28N2O2/c1-14(2)12(15(14,3)4)13(18)17-7-6-11(19-5)8-10(17)9-16/h10-12H,6-9,16H2,1-5H3
InChIKeyNCKDPUCCTPKACK-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 112622258
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 112622168
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 112622228
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 112622300) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is COC1CCN(C(=O)C2C(C)(C)C2(C)C)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is NCKDPUCCTPKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)12(15(14,3)4)13(18)17-7-6-11(19-5)8-10(17)9-16/h10-12H,6-9,16H2,1-5H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 112622300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).