4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine

C22H36N4O — CID 171913248

IUPAC4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
SMILESc1ccc(CN2CCN(C3CCN(CCN4CCOCC4)CC3)CC2)cc1
InChIInChI=1S/C22H36N4O/c1-2-4-21(5-3-1)20-25-12-14-26(15-13-25)22-6-8-23(9-7-22)10-11-24-16-18-27-19-17-24/h1-5,22H,6-20H2
InChIKeyWDTQUHPCYPNUTI-UHFFFAOYSA-N
MW372.56 g/mol
LogP1.60
Rot. Bonds6

About 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine

4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine (PubChem CID 171913248) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
PubChem CID171913248
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
SMILESc1ccc(CN2CCN(C3CCN(CCN4CCOCC4)CC3)CC2)cc1
InChIInChI=1S/C22H36N4O/c1-2-4-21(5-3-1)20-25-12-14-26(15-13-25)22-6-8-23(9-7-22)10-11-24-16-18-27-19-17-24/h1-5,22H,6-20H2
InChIKeyWDTQUHPCYPNUTI-UHFFFAOYSA-N
XLogP1.60
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine (CID 171913248) is 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine is c1ccc(CN2CCN(C3CCN(CCN4CCOCC4)CC3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine?
The InChIKey is WDTQUHPCYPNUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-2-4-21(5-3-1)20-25-12-14-26(15-13-25)22-6-8-23(9-7-22)10-11-24-16-18-27-19-17-24/h1-5,22H,6-20H2.
What are the key properties of 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine?
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine has a molecular weight of 372.56 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 171913248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).