N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine

C17H27N3 — CID 81214999

IUPACN,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H27N3/c1-19(2)13-14-8-11-20(12-9-14)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3
InChIKeyZOCSZSSZTWNWES-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.82
Rot. Bonds3

About N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine (PubChem CID 81214999) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine
PubChem CID81214999
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H27N3/c1-19(2)13-14-8-11-20(12-9-14)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3
InChIKeyZOCSZSSZTWNWES-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine (CID 81214999) is N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine is CN(C)CC1CCN(c2cccc3c2NCCC3)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine?
The InChIKey is ZOCSZSSZTWNWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(2)13-14-8-11-20(12-9-14)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 81214999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).