2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C20H37N5O — CID 56857138

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)cnn1C
InChIInChI=1S/C20H37N5O/c1-16(2)24-8-5-19(6-9-24)25-11-10-23(15-20(25)7-12-26)14-18-13-21-22(4)17(18)3/h13,16,19-20,26H,5-12,14-15H2,1-4H3
InChIKeyCFSFMQMJNPEIEL-UHFFFAOYSA-N
MW363.55 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 56857138) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID56857138
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)cnn1C
InChIInChI=1S/C20H37N5O/c1-16(2)24-8-5-19(6-9-24)25-11-10-23(15-20(25)7-12-26)14-18-13-21-22(4)17(18)3/h13,16,19-20,26H,5-12,14-15H2,1-4H3
InChIKeyCFSFMQMJNPEIEL-UHFFFAOYSA-N
XLogP1.47
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 56857138) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(C3CCN(C(C)C)CC3)C(CCO)C2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is CFSFMQMJNPEIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O/c1-16(2)24-8-5-19(6-9-24)25-11-10-23(15-20(25)7-12-26)14-18-13-21-22(4)17(18)3/h13,16,19-20,26H,5-12,14-15H2,1-4H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 363.55 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56857138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).