[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

C25H34N2O3 — CID 45271982

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1
InChIInChI=1S/C25H34N2O3/c28-19-20-9-14-27(15-10-20)25(29)23-6-5-22-18-24(8-7-21(22)17-23)30-16-4-13-26-11-2-1-3-12-26/h5-8,17-18,20,28H,1-4,9-16,19H2
InChIKeyUATOEWNZSREDFW-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.94
Rot. Bonds7

About [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 45271982) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID45271982
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1
InChIInChI=1S/C25H34N2O3/c28-19-20-9-14-27(15-10-20)25(29)23-6-5-22-18-24(8-7-21(22)17-23)30-16-4-13-26-11-2-1-3-12-26/h5-8,17-18,20,28H,1-4,9-16,19H2
InChIKeyUATOEWNZSREDFW-UHFFFAOYSA-N
XLogP3.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (CID 45271982) is [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is UATOEWNZSREDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c28-19-20-9-14-27(15-10-20)25(29)23-6-5-22-18-24(8-7-21(22)17-23)30-16-4-13-26-11-2-1-3-12-26/h5-8,17-18,20,28H,1-4,9-16,19H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 410.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 45271982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).