2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C16H30N2O — CID 104968929

IUPAC2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C16H30N2O/c1-12-4-3-5-13(2)18(12)16(19)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3/t12-,13+,14?,15?
InChIKeyNWOUKPGGVNHOIK-DGKWVBSXSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 104968929) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID104968929
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C16H30N2O/c1-12-4-3-5-13(2)18(12)16(19)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3/t12-,13+,14?,15?
InChIKeyNWOUKPGGVNHOIK-DGKWVBSXSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 103810444
2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83024120
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63911167
2-cyclohexyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63909211
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-[4-(aminomethyl)cyclohexyl]-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107408880
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83137149
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-2-yl)ethanone
CID 107147481
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 63282257

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 104968929) is 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is NWOUKPGGVNHOIK-DGKWVBSXSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-4-3-5-13(2)18(12)16(19)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3/t12-,13+,14?,15?.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 104968929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).