1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine

C17H36N2O — CID 114856241

IUPAC1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
SMILESCCCNC(CCCOC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-12-18-16(11-10-15-20-4)17(3,6-2)19-13-8-7-9-14-19/h16,18H,5-15H2,1-4H3
InChIKeyROPWMKROMKJGLK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.44
Rot. Bonds10

About 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine

1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine (PubChem CID 114856241) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
PubChem CID114856241
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
SMILESCCCNC(CCCOC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H36N2O/c1-5-12-18-16(11-10-15-20-4)17(3,6-2)19-13-8-7-9-14-19/h16,18H,5-15H2,1-4H3
InChIKeyROPWMKROMKJGLK-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.44
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

3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
1-methoxy-5-methyl-5-pyrrolidin-1-ylheptan-4-ol
CID 114854804
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
CID 114856186
(3-methyl-3-piperidin-1-yloctan-4-yl)hydrazine
CID 105241246
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79064855
4-methyl-4-piperidin-1-yl-N-propylhex-1-en-3-amine
CID 79064782
N-ethyl-1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-amine
CID 79059543
(3,8-dimethyl-3-piperidin-1-ylnonan-4-yl)hydrazine
CID 105241424
4-methyl-4-morpholin-4-yl-N-propylhexan-3-amine
CID 79065046

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine?
The IUPAC name of 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine (CID 114856241) is 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine.
What is the SMILES notation for 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine?
The canonical SMILES for 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine is CCCNC(CCCOC)C(C)(CC)N1CCCCC1.
What is the InChIKey of 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine?
The InChIKey is ROPWMKROMKJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-12-18-16(11-10-15-20-4)17(3,6-2)19-13-8-7-9-14-19/h16,18H,5-15H2,1-4H3.
What are the key properties of 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine?
1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine has a molecular weight of 284.49 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine is sourced from PubChem (CID 114856241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).