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

C16H27N3O — CID 114503407

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1c(C)cnc(CNC2CCN(C)CC2C)c1C
InChIInChI=1S/C16H27N3O/c1-11-8-17-15(13(3)16(11)20-5)9-18-14-6-7-19(4)10-12(14)2/h8,12,14,18H,6-7,9-10H2,1-5H3
InChIKeyCDZRYDBBCCQRIC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.14
Rot. Bonds4

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

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 114503407) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID114503407
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1c(C)cnc(CNC2CCN(C)CC2C)c1C
InChIInChI=1S/C16H27N3O/c1-11-8-17-15(13(3)16(11)20-5)9-18-14-6-7-19(4)10-12(14)2/h8,12,14,18H,6-7,9-10H2,1-5H3
InChIKeyCDZRYDBBCCQRIC-UHFFFAOYSA-N
XLogP2.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 64920600
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 60975626
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329007
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 94381377
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144892
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79663946

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine (CID 114503407) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine is COc1c(C)cnc(CNC2CCN(C)CC2C)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is CDZRYDBBCCQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-8-17-15(13(3)16(11)20-5)9-18-14-6-7-19(4)10-12(14)2/h8,12,14,18H,6-7,9-10H2,1-5H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114503407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).