2-phenoxy-3-piperidin-4-ylpropan-1-amine

C14H22N2O — CID 67752534

IUPAC2-phenoxy-3-piperidin-4-ylpropan-1-amine
SMILESNCC(CC1CCNCC1)Oc1ccccc1
InChIInChI=1S/C14H22N2O/c15-11-14(10-12-6-8-16-9-7-12)17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11,15H2
InChIKeyNDMZIPZFKXAKIP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds5

About 2-phenoxy-3-piperidin-4-ylpropan-1-amine

2-phenoxy-3-piperidin-4-ylpropan-1-amine (PubChem CID 67752534) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-phenoxy-3-piperidin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-phenoxy-3-piperidin-4-ylpropan-1-amine
PubChem CID67752534
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-phenoxy-3-piperidin-4-ylpropan-1-amine
SMILESNCC(CC1CCNCC1)Oc1ccccc1
InChIInChI=1S/C14H22N2O/c15-11-14(10-12-6-8-16-9-7-12)17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11,15H2
InChIKeyNDMZIPZFKXAKIP-UHFFFAOYSA-N
XLogP1.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-piperidin-4-ylpropan-1-amine?
The IUPAC name of 2-phenoxy-3-piperidin-4-ylpropan-1-amine (CID 67752534) is 2-phenoxy-3-piperidin-4-ylpropan-1-amine.
What is the SMILES notation for 2-phenoxy-3-piperidin-4-ylpropan-1-amine?
The canonical SMILES for 2-phenoxy-3-piperidin-4-ylpropan-1-amine is NCC(CC1CCNCC1)Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-piperidin-4-ylpropan-1-amine?
The InChIKey is NDMZIPZFKXAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-11-14(10-12-6-8-16-9-7-12)17-13-4-2-1-3-5-13/h1-5,12,14,16H,6-11,15H2.
What are the key properties of 2-phenoxy-3-piperidin-4-ylpropan-1-amine?
2-phenoxy-3-piperidin-4-ylpropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-piperidin-4-ylpropan-1-amine is sourced from PubChem (CID 67752534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).