1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride

C22H37Cl2N3 — CID 154920531

IUPAC1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
SMILESCc1cccc(N2CCC(N3CCC(C4CCNCC4)CC3)CC2)c1.Cl.Cl
InChIInChI=1S/C22H35N3.2ClH/c1-18-3-2-4-22(17-18)25-15-9-21(10-16-25)24-13-7-20(8-14-24)19-5-11-23-12-6-19;;/h2-4,17,19-21,23H,5-16H2,1H3;2*1H
InChIKeyPRUKCKQVMPDHEW-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride

1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride (PubChem CID 154920531) has the molecular formula C22H37Cl2N3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
PubChem CID154920531
Molecular FormulaC22H37Cl2N3
Molecular Weight414.47 g/mol
Exact Mass413.24
IUPAC Name1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
SMILESCc1cccc(N2CCC(N3CCC(C4CCNCC4)CC3)CC2)c1.Cl.Cl
InChIInChI=1S/C22H35N3.2ClH/c1-18-3-2-4-22(17-18)25-15-9-21(10-16-25)24-13-7-20(8-14-24)19-5-11-23-12-6-19;;/h2-4,17,19-21,23H,5-16H2,1H3;2*1H
InChIKeyPRUKCKQVMPDHEW-UHFFFAOYSA-N
XLogP4.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
CID 114762012
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 29254785
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 30897505
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride?
The IUPAC name of 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride (CID 154920531) is 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride is Cc1cccc(N2CCC(N3CCC(C4CCNCC4)CC3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride?
The InChIKey is PRUKCKQVMPDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3.2ClH/c1-18-3-2-4-22(17-18)25-15-9-21(10-16-25)24-13-7-20(8-14-24)19-5-11-23-12-6-19;;/h2-4,17,19-21,23H,5-16H2,1H3;2*1H.
What are the key properties of 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride?
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride has a molecular weight of 414.47 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 154920531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).