1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine

C17H26N2O — CID 43145154

IUPAC1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
SMILESC=COCCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-20-13-7-11-18-17-10-6-12-19(15-17)14-16-8-4-3-5-9-16/h2-5,8-9,17-18H,1,6-7,10-15H2
InChIKeyUHHWHOUPSDUKIT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds8

About 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine

1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine (PubChem CID 43145154) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
PubChem CID43145154
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
SMILESC=COCCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-20-13-7-11-18-17-10-6-12-19(15-17)14-16-8-4-3-5-9-16/h2-5,8-9,17-18H,1,6-7,10-15H2
InChIKeyUHHWHOUPSDUKIT-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
CID 103709840
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine (CID 43145154) is 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine is C=COCCCNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine?
The InChIKey is UHHWHOUPSDUKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-20-13-7-11-18-17-10-6-12-19(15-17)14-16-8-4-3-5-9-16/h2-5,8-9,17-18H,1,6-7,10-15H2.
What are the key properties of 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine?
1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine is sourced from PubChem (CID 43145154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).