2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C22H41N5O — CID 28954927

IUPAC2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCn1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C22H41N5O/c1-5-9-27-19(4)20(15-23-27)16-24-12-13-26(22(17-24)8-14-28)21-6-10-25(11-7-21)18(2)3/h15,18,21-22,28H,5-14,16-17H2,1-4H3/t22-/m0/s1
InChIKeyNSSOIMLYDGEQAG-QFIPXVFZSA-N
MW391.60 g/mol
LogP2.34
Rot. Bonds8

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

2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 28954927) has the molecular formula C22H41N5O and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID28954927
Molecular FormulaC22H41N5O
Molecular Weight391.60 g/mol
Exact Mass391.33
IUPAC Name2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCn1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C22H41N5O/c1-5-9-27-19(4)20(15-23-27)16-24-12-13-26(22(17-24)8-14-28)21-6-10-25(11-7-21)18(2)3/h15,18,21-22,28H,5-14,16-17H2,1-4H3/t22-/m0/s1
InChIKeyNSSOIMLYDGEQAG-QFIPXVFZSA-N
XLogP2.34
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 28954927) is 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CCCn1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is NSSOIMLYDGEQAG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H41N5O/c1-5-9-27-19(4)20(15-23-27)16-24-12-13-26(22(17-24)8-14-28)21-6-10-25(11-7-21)18(2)3/h15,18,21-22,28H,5-14,16-17H2,1-4H3/t22-/m0/s1.
What are the key properties of 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 391.60 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28954927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).