N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine

C20H33N3O — CID 110111063

IUPACN,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
SMILESCN(C)c1cccc(CCC2CCCCN2CC2CCOCC2)n1
InChIInChI=1S/C20H33N3O/c1-22(2)20-8-5-6-18(21-20)9-10-19-7-3-4-13-23(19)16-17-11-14-24-15-12-17/h5-6,8,17,19H,3-4,7,9-16H2,1-2H3
InChIKeyXTHVAPRFRNQDKH-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.36
Rot. Bonds6

About N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine

N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine (PubChem CID 110111063) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
PubChem CID110111063
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
SMILESCN(C)c1cccc(CCC2CCCCN2CC2CCOCC2)n1
InChIInChI=1S/C20H33N3O/c1-22(2)20-8-5-6-18(21-20)9-10-19-7-3-4-13-23(19)16-17-11-14-24-15-12-17/h5-6,8,17,19H,3-4,7,9-16H2,1-2H3
InChIKeyXTHVAPRFRNQDKH-UHFFFAOYSA-N
XLogP3.36
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine (CID 110111063) is N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine is CN(C)c1cccc(CCC2CCCCN2CC2CCOCC2)n1.
What is the InChIKey of N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is XTHVAPRFRNQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-22(2)20-8-5-6-18(21-20)9-10-19-7-3-4-13-23(19)16-17-11-14-24-15-12-17/h5-6,8,17,19H,3-4,7,9-16H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine?
N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 331.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 110111063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).