ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine

C23H39N3O — CID 142888836

IUPACethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
SMILESCC.c1cc(CN2CCOCC2)cc(N2CCC(CN3CCCC3)CC2)c1
InChIInChI=1S/C21H33N3O.C2H6/c1-2-9-22(8-1)17-19-6-10-24(11-7-19)21-5-3-4-20(16-21)18-23-12-14-25-15-13-23;1-2/h3-5,16,19H,1-2,6-15,17-18H2;1-2H3
InChIKeyAQWSNJWAQNBLJM-UHFFFAOYSA-N
MW373.59 g/mol
LogP3.86
Rot. Bonds5

About ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine

ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine (PubChem CID 142888836) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
PubChem CID142888836
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Nameethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
SMILESCC.c1cc(CN2CCOCC2)cc(N2CCC(CN3CCCC3)CC2)c1
InChIInChI=1S/C21H33N3O.C2H6/c1-2-9-22(8-1)17-19-6-10-24(11-7-19)21-5-3-4-20(16-21)18-23-12-14-25-15-13-23;1-2/h3-5,16,19H,1-2,6-15,17-18H2;1-2H3
InChIKeyAQWSNJWAQNBLJM-UHFFFAOYSA-N
XLogP3.86
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine?
The IUPAC name of ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine (CID 142888836) is ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine.
What is the SMILES notation for ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine?
The canonical SMILES for ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine is CC.c1cc(CN2CCOCC2)cc(N2CCC(CN3CCCC3)CC2)c1.
What is the InChIKey of ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine?
The InChIKey is AQWSNJWAQNBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.C2H6/c1-2-9-22(8-1)17-19-6-10-24(11-7-19)21-5-3-4-20(16-21)18-23-12-14-25-15-13-23;1-2/h3-5,16,19H,1-2,6-15,17-18H2;1-2H3.
What are the key properties of ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine?
ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine has a molecular weight of 373.59 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 142888836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).