2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine

C17H34N2O — CID 63972305

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1N1CCC(COC)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-16-7-5-4-6-8-17(16)19-12-9-15(10-13-19)14-20-2/h15-18H,3-14H2,1-2H3
InChIKeyYQZYKLFDWVMDBD-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine

2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine (PubChem CID 63972305) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
PubChem CID63972305
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1N1CCC(COC)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-18-16-7-5-4-6-8-17(16)19-12-9-15(10-13-19)14-20-2/h15-18H,3-14H2,1-2H3
InChIKeyYQZYKLFDWVMDBD-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propylcycloheptan-1-amine
CID 63973579
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]cyclopentan-1-amine
CID 64569500
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847
N-ethyl-2-(4-propylpiperidin-1-yl)cycloheptan-1-amine
CID 63469846
2-[4-(methoxymethyl)piperidin-1-yl]cycloheptan-1-amine
CID 63973844
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine (CID 63972305) is 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1N1CCC(COC)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine?
The InChIKey is YQZYKLFDWVMDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-11-18-16-7-5-4-6-8-17(16)19-12-9-15(10-13-19)14-20-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine?
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63972305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).