1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine

C22H32N4O — CID 126794764

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)CCc3cccnc3)CC2)c1C
InChIInChI=1S/C22H32N4O/c1-17-14-24-21(18(2)22(17)27-4)16-26-12-8-20(9-13-26)25(3)11-7-19-6-5-10-23-15-19/h5-6,10,14-15,20H,7-9,11-13,16H2,1-4H3
InChIKeyNHEPHGQSLFBVBN-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.24
Rot. Bonds7

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine (PubChem CID 126794764) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
PubChem CID126794764
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)CCc3cccnc3)CC2)c1C
InChIInChI=1S/C22H32N4O/c1-17-14-24-21(18(2)22(17)27-4)16-26-12-8-20(9-13-26)25(3)11-7-19-6-5-10-23-15-19/h5-6,10,14-15,20H,7-9,11-13,16H2,1-4H3
InChIKeyNHEPHGQSLFBVBN-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine (CID 126794764) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine is COc1c(C)cnc(CN2CCC(N(C)CCc3cccnc3)CC2)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine?
The InChIKey is NHEPHGQSLFBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-14-24-21(18(2)22(17)27-4)16-26-12-8-20(9-13-26)25(3)11-7-19-6-5-10-23-15-19/h5-6,10,14-15,20H,7-9,11-13,16H2,1-4H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine has a molecular weight of 368.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine is sourced from PubChem (CID 126794764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).