N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine

C19H31N3O — CID 75501690

IUPACN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H31N3O/c1-16-3-4-19(15-17(16)2)20-18-5-7-21(8-6-18)9-10-22-11-13-23-14-12-22/h3-4,15,18,20H,5-14H2,1-2H3
InChIKeyHFSWKBWWCOGNRV-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.51
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine

N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 75501690) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID75501690
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H31N3O/c1-16-3-4-19(15-17(16)2)20-18-5-7-21(8-6-18)9-10-22-11-13-23-14-12-22/h3-4,15,18,20H,5-14H2,1-2H3
InChIKeyHFSWKBWWCOGNRV-UHFFFAOYSA-N
XLogP2.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 75501690) is N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine is Cc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is HFSWKBWWCOGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-3-4-19(15-17(16)2)20-18-5-7-21(8-6-18)9-10-22-11-13-23-14-12-22/h3-4,15,18,20H,5-14H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 317.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 75501690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).