[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride

C21H34ClN7O — CID 66602129

IUPAC[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1.Cl
InChIInChI=1S/C21H33N7O.ClH/c1-15-19(16(2)25-24-15)17(3)26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(14-29)5-9-27;/h6-7,17-18,29H,4-5,8-14H2,1-3H3,(H,24,25);1H
InChIKeyWITFQVVHWHOFKA-UHFFFAOYSA-N
MW436.00 g/mol
LogP2.33
Rot. Bonds5

About [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride

[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride (PubChem CID 66602129) has the molecular formula C21H34ClN7O and a molecular weight of 436.00 g/mol. Its IUPAC name is [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride
PubChem CID66602129
Molecular FormulaC21H34ClN7O
Molecular Weight436.00 g/mol
Exact Mass435.25
IUPAC Name[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1.Cl
InChIInChI=1S/C21H33N7O.ClH/c1-15-19(16(2)25-24-15)17(3)26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(14-29)5-9-27;/h6-7,17-18,29H,4-5,8-14H2,1-3H3,(H,24,25);1H
InChIKeyWITFQVVHWHOFKA-UHFFFAOYSA-N
XLogP2.33
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

butanedioic acid;2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-(4-propan-2-yloxyphenyl)pyrazine
CID 68597617
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
CID 66602234
[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 66602076
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[1-[3-[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride
CID 66602074
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride
CID 68597596
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438247
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 83062622
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride (CID 66602129) is [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride is Cc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2N2CCC(CO)CC2)CC1.Cl.
What is the InChIKey of [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride?
The InChIKey is WITFQVVHWHOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O.ClH/c1-15-19(16(2)25-24-15)17(3)26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(14-29)5-9-27;/h6-7,17-18,29H,4-5,8-14H2,1-3H3,(H,24,25);1H.
What are the key properties of [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride?
[1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 66602129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).