4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine

C14H30N2O — CID 102968026

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCN1CCC(C)C(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-8-15-9-5-6-10-16-11-7-13(2)14(12-16)17-3/h13-15H,4-12H2,1-3H3
InChIKeyIARFBCOAOFMKOF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine

4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine (PubChem CID 102968026) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
PubChem CID102968026
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCN1CCC(C)C(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-8-15-9-5-6-10-16-11-7-13(2)14(12-16)17-3/h13-15H,4-12H2,1-3H3
InChIKeyIARFBCOAOFMKOF-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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

4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-1-amine
CID 103539930
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
CID 102964339
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 102965460
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
2-[2-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 102965459
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102963478

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine (CID 102968026) is 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine is CCCNCCCCN1CCC(C)C(OC)C1.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The InChIKey is IARFBCOAOFMKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-8-15-9-5-6-10-16-11-7-13(2)14(12-16)17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine?
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 102968026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).