[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine

C15H30N2O — CID 102965147

IUPAC[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCOC1CCCN(C2(CN)CCCC(C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-8-15(12-16,9-7-13)17-10-4-6-14(11-17)18-2/h13-14H,3-12,16H2,1-2H3
InChIKeyCSZCQHKHPFFQCP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds3

About [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine

[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine (PubChem CID 102965147) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
PubChem CID102965147
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCOC1CCCN(C2(CN)CCCC(C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-8-15(12-16,9-7-13)17-10-4-6-14(11-17)18-2/h13-14H,3-12,16H2,1-2H3
InChIKeyCSZCQHKHPFFQCP-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755486

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The IUPAC name of [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine (CID 102965147) is [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine.
What is the SMILES notation for [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The canonical SMILES for [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine is COC1CCCN(C2(CN)CCCC(C)CC2)C1.
What is the InChIKey of [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine?
The InChIKey is CSZCQHKHPFFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-5-3-8-15(12-16,9-7-13)17-10-4-6-14(11-17)18-2/h13-14H,3-12,16H2,1-2H3.
What are the key properties of [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine?
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine is sourced from PubChem (CID 102965147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).