[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride

C21H33ClN6O — CID 67038358

IUPAC[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
SMILESCCn1cc(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)cn1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-2-27-16-19(14-23-27)15-24-10-12-25(13-11-24)20-4-3-7-22-21(20)26-8-5-18(17-28)6-9-26;/h3-4,7,14,16,18,28H,2,5-6,8-13,15,17H2,1H3;1H
InChIKeyPIXQBACEHUZQTR-UHFFFAOYSA-N
MW420.99 g/mol
LogP2.25
Rot. Bonds6

About [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride

[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride (PubChem CID 67038358) has the molecular formula C21H33ClN6O and a molecular weight of 420.99 g/mol. Its IUPAC name is [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
PubChem CID67038358
Molecular FormulaC21H33ClN6O
Molecular Weight420.99 g/mol
Exact Mass420.24
IUPAC Name[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
SMILESCCn1cc(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)cn1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-2-27-16-19(14-23-27)15-24-10-12-25(13-11-24)20-4-3-7-22-21(20)26-8-5-18(17-28)6-9-26;/h3-4,7,14,16,18,28H,2,5-6,8-13,15,17H2,1H3;1H
InChIKeyPIXQBACEHUZQTR-UHFFFAOYSA-N
XLogP2.25
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride (CID 67038358) is [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride is CCn1cc(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)cn1.Cl.
What is the InChIKey of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride?
The InChIKey is PIXQBACEHUZQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.ClH/c1-2-27-16-19(14-23-27)15-24-10-12-25(13-11-24)20-4-3-7-22-21(20)26-8-5-18(17-28)6-9-26;/h3-4,7,14,16,18,28H,2,5-6,8-13,15,17H2,1H3;1H.
What are the key properties of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride?
[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride has a molecular weight of 420.99 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 67038358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).