2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C25H42N4O — CID 45186559

IUPAC2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)CC1
InChIInChI=1S/C25H42N4O/c1-21(2)26-13-10-24(11-14-26)29-18-17-28(20-25(29)12-19-30)23-8-15-27(16-9-23)22-6-4-3-5-7-22/h3-7,21,23-25,30H,8-20H2,1-2H3
InChIKeyHBFSNTJTUBYXHF-UHFFFAOYSA-N
MW414.64 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45186559) has the molecular formula C25H42N4O and a molecular weight of 414.64 g/mol. Its IUPAC name is 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45186559
Molecular FormulaC25H42N4O
Molecular Weight414.64 g/mol
Exact Mass414.34
IUPAC Name2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)CC1
InChIInChI=1S/C25H42N4O/c1-21(2)26-13-10-24(11-14-26)29-18-17-28(20-25(29)12-19-30)23-8-15-27(16-9-23)22-6-4-3-5-7-22/h3-7,21,23-25,30H,8-20H2,1-2H3
InChIKeyHBFSNTJTUBYXHF-UHFFFAOYSA-N
XLogP2.90
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45186559) is 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)CC1.
What is the InChIKey of 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is HBFSNTJTUBYXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O/c1-21(2)26-13-10-24(11-14-26)29-18-17-28(20-25(29)12-19-30)23-8-15-27(16-9-23)22-6-4-3-5-7-22/h3-7,21,23-25,30H,8-20H2,1-2H3.
What are the key properties of 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 414.64 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45186559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).