3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine

C17H27N3O — CID 171070329

IUPAC3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CC2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H27N3O/c1-19(15-11-16(12-15)21-2)13-14-6-9-20(10-7-14)17-5-3-4-8-18-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3
InChIKeyBKSAPJXWBGQXGS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.41
Rot. Bonds5

About 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine

3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 171070329) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
PubChem CID171070329
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CC2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H27N3O/c1-19(15-11-16(12-15)21-2)13-14-6-9-20(10-7-14)17-5-3-4-8-18-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3
InChIKeyBKSAPJXWBGQXGS-UHFFFAOYSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 133448541
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 156885185
N,N-dimethyl-3-(1-pyridin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 71978658
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine (CID 171070329) is 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine is COC1CC(N(C)CC2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is BKSAPJXWBGQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(15-11-16(12-15)21-2)13-14-6-9-20(10-7-14)17-5-3-4-8-18-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 171070329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).