(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone

C14H26N2O — CID 62777923

IUPAC(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCC(N)CC2C)C1
InChIInChI=1S/C14H26N2O/c1-10-4-3-7-16(9-10)14(17)13-6-5-12(15)8-11(13)2/h10-13H,3-9,15H2,1-2H3
InChIKeyREVQSEQRJAAXBT-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds1

About (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone

(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 62777923) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID62777923
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCC(N)CC2C)C1
InChIInChI=1S/C14H26N2O/c1-10-4-3-7-16(9-10)14(17)13-6-5-12(15)8-11(13)2/h10-13H,3-9,15H2,1-2H3
InChIKeyREVQSEQRJAAXBT-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone (CID 62777923) is (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCC(N)CC2C)C1.
What is the InChIKey of (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is REVQSEQRJAAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-4-3-7-16(9-10)14(17)13-6-5-12(15)8-11(13)2/h10-13H,3-9,15H2,1-2H3.
What are the key properties of (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62777923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).