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

C22H41N5O — CID 45187474

IUPAC2-[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(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
InChIKeyNSSOIMLYDGEQAG-UHFFFAOYSA-N
MW391.60 g/mol
LogP2.34
Rot. Bonds8

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

2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45187474) has the molecular formula C22H41N5O and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45187474
Molecular FormulaC22H41N5O
Molecular Weight391.60 g/mol
Exact Mass391.33
IUPAC Name2-[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(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
InChIKeyNSSOIMLYDGEQAG-UHFFFAOYSA-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

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

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Related Compounds

1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 28768981
{1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,3'-bipiperidin-4-yl}methanol
CID 45191499
2-{1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45193705
Sdccgsbi-0115155.P001
CID 45208115
2-[4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 56857138
[4-Ethyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]methanol
CID 109901852
2-{1-cyclohexyl-4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45168042
2-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methyl-2-piperazinyl}ethanol
CID 45168235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45187474) is 2-[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-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[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(CCO)C2)c1C.
What is the InChIKey of 2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is NSSOIMLYDGEQAG-UHFFFAOYSA-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.
What are the key properties of 2-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[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-[4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45187474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).