2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine

C18H36N2O — CID 43372793

IUPAC2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine
SMILESCOC1CCN(C2CCCCCCCCCCC2N)CC1
InChIInChI=1S/C18H36N2O/c1-21-16-12-14-20(15-13-16)18-11-9-7-5-3-2-4-6-8-10-17(18)19/h16-18H,2-15,19H2,1H3
InChIKeyZKLLJLMSMLGBSR-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine

2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine (PubChem CID 43372793) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine
PubChem CID43372793
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine
SMILESCOC1CCN(C2CCCCCCCCCCC2N)CC1
InChIInChI=1S/C18H36N2O/c1-21-16-12-14-20(15-13-16)18-11-9-7-5-3-2-4-6-8-10-17(18)19/h16-18H,2-15,19H2,1H3
InChIKeyZKLLJLMSMLGBSR-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]cycloheptan-1-amine
CID 63973844
4-(4-methoxypiperidin-1-yl)-1-methylpiperidin-3-amine
CID 129134578
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
trans-(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 30819011
N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide
CID 102736897
2-(4-cyclopentylpiperazin-1-yl)cyclohexan-1-amine
CID 62368613
2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
CID 63160830
2-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 54985776
2-(3-tert-butylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417233
methoxycyclooctane
CID 551195
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine (CID 43372793) is 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine is COC1CCN(C2CCCCCCCCCCC2N)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine?
The InChIKey is ZKLLJLMSMLGBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-21-16-12-14-20(15-13-16)18-11-9-7-5-3-2-4-6-8-10-17(18)19/h16-18H,2-15,19H2,1H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine?
2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine is sourced from PubChem (CID 43372793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).