(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C18H34N2O — CID 63249081

IUPAC(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)15-10-8-14(9-11-15)17(21)20-12-6-5-7-16(20)13-19-4/h14-16,19H,5-13H2,1-4H3
InChIKeyRWPJYEUOXAZXLF-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds3

About (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63249081) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63249081
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)15-10-8-14(9-11-15)17(21)20-12-6-5-7-16(20)13-19-4/h14-16,19H,5-13H2,1-4H3
InChIKeyRWPJYEUOXAZXLF-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
[2-(bromomethyl)pyrrolidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 80677873
N-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]cyclopentanecarboxamide
CID 119651183
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 63249081) is (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is RWPJYEUOXAZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-18(2,3)15-10-8-14(9-11-15)17(21)20-12-6-5-7-16(20)13-19-4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 294.48 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63249081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).