[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

C16H30N2O — CID 63162410

IUPAC[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C16H30N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h13-14H,3-12,17H2,1-2H3
InChIKeyCPEUCTJJBMRPHF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds3

About [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63162410) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63162410
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C16H30N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h13-14H,3-12,17H2,1-2H3
InChIKeyCPEUCTJJBMRPHF-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175176
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092294
(2-amino-6-methylcyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 55160462
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63162410) is [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)C2CCCC(CN)C2)CC1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is CPEUCTJJBMRPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h13-14H,3-12,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63162410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).