(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H26N2O — CID 19108543

IUPAC(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2CCCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h11-12H,3-10,15H2,1-2H3
InChIKeyMAFFLNIQYLTCMJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds1

About (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 19108543) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID19108543
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2CCCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h11-12H,3-10,15H2,1-2H3
InChIKeyMAFFLNIQYLTCMJ-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 19108543) is (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)C2CCCCC2N)CC1.
What is the InChIKey of (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is MAFFLNIQYLTCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 19108543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).