N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine

C16H27N3O — CID 65047652

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCOCC(NC1CCN(c2ccccn2)CC1)C(C)C
InChIInChI=1S/C16H27N3O/c1-13(2)15(12-20-3)18-14-7-10-19(11-8-14)16-6-4-5-9-17-16/h4-6,9,13-15,18H,7-8,10-12H2,1-3H3
InChIKeyWEEMQZUSHOKRET-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine

N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 65047652) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID65047652
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCOCC(NC1CCN(c2ccccn2)CC1)C(C)C
InChIInChI=1S/C16H27N3O/c1-13(2)15(12-20-3)18-14-7-10-19(11-8-14)16-6-4-5-9-17-16/h4-6,9,13-15,18H,7-8,10-12H2,1-3H3
InChIKeyWEEMQZUSHOKRET-UHFFFAOYSA-N
XLogP2.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 133448541
N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
CID 115723624
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine (CID 65047652) is N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine is COCC(NC1CCN(c2ccccn2)CC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is WEEMQZUSHOKRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)15(12-20-3)18-14-7-10-19(11-8-14)16-6-4-5-9-17-16/h4-6,9,13-15,18H,7-8,10-12H2,1-3H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine?
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 65047652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).