1-benzyl-N-(3-methoxypropyl)piperidin-4-amine

C16H26N2O — CID 2245150

IUPAC1-benzyl-N-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-19-13-5-10-17-16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeySGIOHOBYJACGHT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.28
Rot. Bonds7

About 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine

1-benzyl-N-(3-methoxypropyl)piperidin-4-amine (PubChem CID 2245150) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-methoxypropyl)piperidin-4-amine
PubChem CID2245150
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-benzyl-N-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-19-13-5-10-17-16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeySGIOHOBYJACGHT-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine (CID 2245150) is 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine is COCCCNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine?
The InChIKey is SGIOHOBYJACGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-13-5-10-17-16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3.
What are the key properties of 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine?
1-benzyl-N-(3-methoxypropyl)piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methoxypropyl)piperidin-4-amine is sourced from PubChem (CID 2245150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).