1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride

C23H32ClNO2 — CID 24761461

IUPAC1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-2-3-14-23(25,21-12-8-5-9-13-21)22(20-10-6-4-7-11-20)19-24-15-17-26-18-16-24;/h4-13,22,25H,2-3,14-19H2,1H3;1H
InChIKeyPMSJZKHXTLVMIA-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.60
Rot. Bonds8

About 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride

1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride (PubChem CID 24761461) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride
PubChem CID24761461
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-2-3-14-23(25,21-12-8-5-9-13-21)22(20-10-6-4-7-11-20)19-24-15-17-26-18-16-24;/h4-13,22,25H,2-3,14-19H2,1H3;1H
InChIKeyPMSJZKHXTLVMIA-UHFFFAOYSA-N
XLogP4.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride (CID 24761461) is 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride is CCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride?
The InChIKey is PMSJZKHXTLVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-2-3-14-23(25,21-12-8-5-9-13-21)22(20-10-6-4-7-11-20)19-24-15-17-26-18-16-24;/h4-13,22,25H,2-3,14-19H2,1H3;1H.
What are the key properties of 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride?
1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,3-diphenylheptan-3-ol;hydrochloride is sourced from PubChem (CID 24761461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).