1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine

C17H34N2O — CID 107395224

IUPAC1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CCCC(C)(OC)C2)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-16(20-3)9-8-12-19(14-16)15-17(13-18-2)10-6-4-5-7-11-17/h18H,4-15H2,1-3H3
InChIKeyUMVBWZZPEGODPQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds5

About 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine

1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine (PubChem CID 107395224) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
PubChem CID107395224
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CCCC(C)(OC)C2)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-16(20-3)9-8-12-19(14-16)15-17(13-18-2)10-6-4-5-7-11-17/h18H,4-15H2,1-3H3
InChIKeyUMVBWZZPEGODPQ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 107395205
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine
CID 107394406
3-methoxy-3-methyl-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 107393283
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
CID 62973523
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 79183848
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
1-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 63151689

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine (CID 107395224) is 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine is CNCC1(CN2CCCC(C)(OC)C2)CCCCCC1.
What is the InChIKey of 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The InChIKey is UMVBWZZPEGODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(20-3)9-8-12-19(14-16)15-17(13-18-2)10-6-4-5-7-11-17/h18H,4-15H2,1-3H3.
What are the key properties of 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 107395224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).