1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride

C22H31ClN4 — CID 68753959

IUPAC1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCC(N3CCN(c4ccncc4)CC3)CC2)cc1
InChIInChI=1S/C22H30N4.ClH/c1-2-4-20(5-3-1)8-13-24-14-9-22(10-15-24)26-18-16-25(17-19-26)21-6-11-23-12-7-21;/h1-7,11-12,22H,8-10,13-19H2;1H
InChIKeyCOQYQAWRWUDVJR-UHFFFAOYSA-N
MW386.97 g/mol
LogP3.33
Rot. Bonds5

About 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride

1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 68753959) has the molecular formula C22H31ClN4 and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
PubChem CID68753959
Molecular FormulaC22H31ClN4
Molecular Weight386.97 g/mol
Exact Mass386.22
IUPAC Name1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCC(N3CCN(c4ccncc4)CC3)CC2)cc1
InChIInChI=1S/C22H30N4.ClH/c1-2-4-20(5-3-1)8-13-24-14-9-22(10-15-24)26-18-16-25(17-19-26)21-6-11-23-12-7-21;/h1-7,11-12,22H,8-10,13-19H2;1H
InChIKeyCOQYQAWRWUDVJR-UHFFFAOYSA-N
XLogP3.33
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-nitrophenyl)-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
CID 68755234
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
4-[2-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]ethyl]pyridine;dihydrochloride
CID 141036953
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride (CID 68753959) is 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride is Cl.c1ccc(CCN2CCC(N3CCN(c4ccncc4)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is COQYQAWRWUDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4.ClH/c1-2-4-20(5-3-1)8-13-24-14-9-22(10-15-24)26-18-16-25(17-19-26)21-6-11-23-12-7-21;/h1-7,11-12,22H,8-10,13-19H2;1H.
What are the key properties of 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride?
1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 68753959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).