1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine

C16H33N3O — CID 106872340

IUPAC1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCOC1CCCCC1(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-18(2)12-14-7-10-19(11-8-14)16(13-17)9-5-4-6-15(16)20-3/h14-15H,4-13,17H2,1-3H3
InChIKeyRBGTZRHJXXXBTG-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.55
Rot. Bonds5

About 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 106872340) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID106872340
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCOC1CCCCC1(CN)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-18(2)12-14-7-10-19(11-8-14)16(13-17)9-5-4-6-15(16)20-3/h14-15H,4-13,17H2,1-3H3
InChIKeyRBGTZRHJXXXBTG-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872557
[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872730
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 106872497
[2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexyl]methanamine
CID 106872792
1-[1-[3-(aminomethyl)-2-methyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 82719164
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
CID 79951432
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 106872340) is 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine is COC1CCCCC1(CN)N1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is RBGTZRHJXXXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-18(2)12-14-7-10-19(11-8-14)16(13-17)9-5-4-6-15(16)20-3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 283.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 106872340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).