1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine

C27H44N4O — CID 51001056

IUPAC1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
SMILESc1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C27H44N4O/c1-3-8-24(9-4-1)27(31-19-17-29(18-20-31)22-26-10-7-21-32-26)23-28-15-11-25(12-16-28)30-13-5-2-6-14-30/h1,3-4,8-9,25-27H,2,5-7,10-23H2
InChIKeyVLQWBBAISJOUST-UHFFFAOYSA-N
MW440.68 g/mol
LogP3.47
Rot. Bonds7

About 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine

1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine (PubChem CID 51001056) has the molecular formula C27H44N4O and a molecular weight of 440.68 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
PubChem CID51001056
Molecular FormulaC27H44N4O
Molecular Weight440.68 g/mol
Exact Mass440.35
IUPAC Name1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
SMILESc1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C27H44N4O/c1-3-8-24(9-4-1)27(31-19-17-29(18-20-31)22-26-10-7-21-32-26)23-28-15-11-25(12-16-28)30-13-5-2-6-14-30/h1,3-4,8-9,25-27H,2,5-7,10-23H2
InChIKeyVLQWBBAISJOUST-UHFFFAOYSA-N
XLogP3.47
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.68
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine with MolForge

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Related Compounds

(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
CID 56914733
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine (CID 51001056) is 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine is c1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is VLQWBBAISJOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O/c1-3-8-24(9-4-1)27(31-19-17-29(18-20-31)22-26-10-7-21-32-26)23-28-15-11-25(12-16-28)30-13-5-2-6-14-30/h1,3-4,8-9,25-27H,2,5-7,10-23H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 440.68 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 51001056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).