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

C14H26N2O — CID 66476448

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCCC(CN)C2)C1(C)C
InChIInChI=1S/C14H26N2O/c1-13(2)11(14(13,3)4)12(17)16-7-5-6-10(8-15)9-16/h10-11H,5-9,15H2,1-4H3
InChIKeyTUWJGZZHHZILJQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.87
Rot. Bonds2

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

[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66476448) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66476448
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCCC(CN)C2)C1(C)C
InChIInChI=1S/C14H26N2O/c1-13(2)11(14(13,3)4)12(17)16-7-5-6-10(8-15)9-16/h10-11H,5-9,15H2,1-4H3
InChIKeyTUWJGZZHHZILJQ-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
CID 66478043
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
CID 170576253
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66476448) is [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCCC(CN)C2)C1(C)C.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is TUWJGZZHHZILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)11(14(13,3)4)12(17)16-7-5-6-10(8-15)9-16/h10-11H,5-9,15H2,1-4H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).