4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine

C20H28N2O — CID 13179595

IUPAC4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine
SMILESC1=C(CN2CCCCC2)CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H28N2O/c1-2-8-21(9-3-1)16-17-4-5-19-15-20(7-6-18(19)14-17)22-10-12-23-13-11-22/h6-7,14-15H,1-5,8-13,16H2
InChIKeyZTOBEMUQTMPINF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.34
Rot. Bonds3

About 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine

4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine (PubChem CID 13179595) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine
PubChem CID13179595
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine
SMILESC1=C(CN2CCCCC2)CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H28N2O/c1-2-8-21(9-3-1)16-17-4-5-19-15-20(7-6-18(19)14-17)22-10-12-23-13-11-22/h6-7,14-15H,1-5,8-13,16H2
InChIKeyZTOBEMUQTMPINF-UHFFFAOYSA-N
XLogP3.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine?
The IUPAC name of 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine (CID 13179595) is 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine.
What is the SMILES notation for 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine?
The canonical SMILES for 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine is C1=C(CN2CCCCC2)CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine?
The InChIKey is ZTOBEMUQTMPINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-8-21(9-3-1)16-17-4-5-19-15-20(7-6-18(19)14-17)22-10-12-23-13-11-22/h6-7,14-15H,1-5,8-13,16H2.
What are the key properties of 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine?
4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine has a molecular weight of 312.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine is sourced from PubChem (CID 13179595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).