2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine

C16H32N2O — CID 106586654

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCCC(COC)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-7-8-15(17)16(10-13)18-9-4-6-14(11-18)12-19-2/h13-16H,3-12,17H2,1-2H3
InChIKeyDJKJRLQQFIWDNC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine

2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine (PubChem CID 106586654) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine
PubChem CID106586654
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCCC(COC)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-7-8-15(17)16(10-13)18-9-4-6-14(11-18)12-19-2/h13-16H,3-12,17H2,1-2H3
InChIKeyDJKJRLQQFIWDNC-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 54932872
[2-[3-(methoxymethyl)piperidin-1-yl]cyclopentyl]methanamine
CID 106586143
2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 61220136
trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
CID 106588237
4-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052555
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
CID 62987758
2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine
CID 114086653
3-(methoxymethyl)-1-methyl-6-propylazocane
CID 70899502
2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 106588489
2-(cyclopentylmethoxy)-4-propylcyclohexan-1-amine
CID 66322821

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine (CID 106586654) is 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(N2CCCC(COC)C2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine?
The InChIKey is DJKJRLQQFIWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-13-7-8-15(17)16(10-13)18-9-4-6-14(11-18)12-19-2/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine?
2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 106586654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).