2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine

C18H36N2O — CID 102965411

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CCC(C)C(OC)C1
InChIInChI=1S/C18H36N2O/c1-4-12-19-16-9-7-5-6-8-10-17(16)20-13-11-15(2)18(14-20)21-3/h15-19H,4-14H2,1-3H3
InChIKeyBDGNJVDVVOZHTQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine

2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine (PubChem CID 102965411) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
PubChem CID102965411
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CCC(C)C(OC)C1
InChIInChI=1S/C18H36N2O/c1-4-12-19-16-9-7-5-6-8-10-17(16)20-13-11-15(2)18(14-20)21-3/h15-19H,4-14H2,1-3H3
InChIKeyBDGNJVDVVOZHTQ-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-[2-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 102965459
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
CID 81465092
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537740
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine (CID 102965411) is 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1N1CCC(C)C(OC)C1.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
The InChIKey is BDGNJVDVVOZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-12-19-16-9-7-5-6-8-10-17(16)20-13-11-15(2)18(14-20)21-3/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine?
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine is sourced from PubChem (CID 102965411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).