N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine

C18H29N3O — CID 84585987

IUPACN-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCN(CC1CCCO1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C18H29N3O/c1-20(15-18-6-4-14-22-18)17-8-12-21(13-9-17)11-7-16-5-2-3-10-19-16/h2-3,5,10,17-18H,4,6-9,11-15H2,1H3
InChIKeyQMROSXJOEXAYAM-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.20
Rot. Bonds6

About N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine

N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine (PubChem CID 84585987) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine
PubChem CID84585987
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCN(CC1CCCO1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C18H29N3O/c1-20(15-18-6-4-14-22-18)17-8-12-21(13-9-17)11-7-16-5-2-3-10-19-16/h2-3,5,10,17-18H,4,6-9,11-15H2,1H3
InChIKeyQMROSXJOEXAYAM-UHFFFAOYSA-N
XLogP2.20
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine (CID 84585987) is N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine is CN(CC1CCCO1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The InChIKey is QMROSXJOEXAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(15-18-6-4-14-22-18)17-8-12-21(13-9-17)11-7-16-5-2-3-10-19-16/h2-3,5,10,17-18H,4,6-9,11-15H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 84585987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).