4-(1-phenylbutyl)morpholine;hydrochloride

C14H22ClNO — CID 3057372

IUPAC4-(1-phenylbutyl)morpholine;hydrochloride
SMILESCCCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15;/h3-5,7-8,14H,2,6,9-12H2,1H3;1H
InChIKeyLNCQNBDSKXPEDL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.28
Rot. Bonds4

About 4-(1-phenylbutyl)morpholine;hydrochloride

4-(1-phenylbutyl)morpholine;hydrochloride (PubChem CID 3057372) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(1-phenylbutyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-phenylbutyl)morpholine;hydrochloride
PubChem CID3057372
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(1-phenylbutyl)morpholine;hydrochloride
SMILESCCCC(c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15;/h3-5,7-8,14H,2,6,9-12H2,1H3;1H
InChIKeyLNCQNBDSKXPEDL-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbutyl)morpholine;hydrochloride?
The IUPAC name of 4-(1-phenylbutyl)morpholine;hydrochloride (CID 3057372) is 4-(1-phenylbutyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-phenylbutyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-phenylbutyl)morpholine;hydrochloride is CCCC(c1ccccc1)N1CCOCC1.Cl.
What is the InChIKey of 4-(1-phenylbutyl)morpholine;hydrochloride?
The InChIKey is LNCQNBDSKXPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15;/h3-5,7-8,14H,2,6,9-12H2,1H3;1H.
What are the key properties of 4-(1-phenylbutyl)morpholine;hydrochloride?
4-(1-phenylbutyl)morpholine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbutyl)morpholine;hydrochloride is sourced from PubChem (CID 3057372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).