[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine

C16H26N2O — CID 114876398

IUPAC[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
SMILESCC1CCN(CCCOc2ccccc2)CC1CN
InChIInChI=1S/C16H26N2O/c1-14-8-10-18(13-15(14)12-17)9-5-11-19-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13,17H2,1H3
InChIKeySDABEJZNNQVNPE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds6

About [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine

[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine (PubChem CID 114876398) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
PubChem CID114876398
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
SMILESCC1CCN(CCCOc2ccccc2)CC1CN
InChIInChI=1S/C16H26N2O/c1-14-8-10-18(13-15(14)12-17)9-5-11-19-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13,17H2,1H3
InChIKeySDABEJZNNQVNPE-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
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 [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine (CID 114876398) is [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine is CC1CCN(CCCOc2ccccc2)CC1CN.
What is the InChIKey of [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine?
The InChIKey is SDABEJZNNQVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-8-10-18(13-15(14)12-17)9-5-11-19-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13,17H2,1H3.
What are the key properties of [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine?
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114876398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).