1-(5-methoxypentyl)-3-methylpiperidin-4-amine

C12H26N2O — CID 103815527

IUPAC1-(5-methoxypentyl)-3-methylpiperidin-4-amine
SMILESCOCCCCCN1CCC(N)C(C)C1
InChIInChI=1S/C12H26N2O/c1-11-10-14(8-6-12(11)13)7-4-3-5-9-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyYJVBPVVAPZAPNA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(5-methoxypentyl)-3-methylpiperidin-4-amine

1-(5-methoxypentyl)-3-methylpiperidin-4-amine (PubChem CID 103815527) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-3-methylpiperidin-4-amine
PubChem CID103815527
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(5-methoxypentyl)-3-methylpiperidin-4-amine
SMILESCOCCCCCN1CCC(N)C(C)C1
InChIInChI=1S/C12H26N2O/c1-11-10-14(8-6-12(11)13)7-4-3-5-9-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyYJVBPVVAPZAPNA-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
1-(3-Ethoxypropyl)-3-methylpiperidin-4-amine
CID 54593711
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
3-(3-Fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
CID 156735038
4,4,4-trifluoro-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63725235
5-Methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-2-amine
CID 81101653
3-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
CID 103058988
N-ethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
CID 103058990
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxan-4-amine
CID 103058991
N-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
CID 103058993
3-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
CID 103059100
N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
CID 103059102

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-methoxypentyl)-3-methylpiperidin-4-amine (CID 103815527) is 1-(5-methoxypentyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-methoxypentyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-methoxypentyl)-3-methylpiperidin-4-amine is COCCCCCN1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-methoxypentyl)-3-methylpiperidin-4-amine?
The InChIKey is YJVBPVVAPZAPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11-10-14(8-6-12(11)13)7-4-3-5-9-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(5-methoxypentyl)-3-methylpiperidin-4-amine?
1-(5-methoxypentyl)-3-methylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 103815527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).