1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide

C16H25N3O2 — CID 43576087

IUPAC1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-16(20)14-6-8-19(9-7-14)10-11-21-15-4-2-13(12-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyUYJUJTFFPUFKFN-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.98
Rot. Bonds6

About 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 43576087) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID43576087
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-16(20)14-6-8-19(9-7-14)10-11-21-15-4-2-13(12-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyUYJUJTFFPUFKFN-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide (CID 43576087) is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCOc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UYJUJTFFPUFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-16(20)14-6-8-19(9-7-14)10-11-21-15-4-2-13(12-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20).
What are the key properties of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide?
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43576087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).