4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride

C18H29ClN2O — CID 71653729

IUPAC4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
SMILESCCCN1CCC(c2cccc(N3CCOCC3)c2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-8-19-9-6-16(7-10-19)17-4-3-5-18(15-17)20-11-13-21-14-12-20;/h3-5,15-16H,2,6-14H2,1H3;1H
InChIKeyNEYSUGVPHUPPHG-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.53
Rot. Bonds4

About 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride

4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride (PubChem CID 71653729) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
PubChem CID71653729
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
SMILESCCCN1CCC(c2cccc(N3CCOCC3)c2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-8-19-9-6-16(7-10-19)17-4-3-5-18(15-17)20-11-13-21-14-12-20;/h3-5,15-16H,2,6-14H2,1H3;1H
InChIKeyNEYSUGVPHUPPHG-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride (CID 71653729) is 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride is CCCN1CCC(c2cccc(N3CCOCC3)c2)CC1.Cl.
What is the InChIKey of 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride?
The InChIKey is NEYSUGVPHUPPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-2-8-19-9-6-16(7-10-19)17-4-3-5-18(15-17)20-11-13-21-14-12-20;/h3-5,15-16H,2,6-14H2,1H3;1H.
What are the key properties of 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride?
4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 71653729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).