1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine

C17H27N3 — CID 171070054

IUPAC1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-15-2-4-17(5-3-15)20-10-6-16(7-11-20)14-19-12-8-18-9-13-19/h2-5,16,18H,6-14H2,1H3
InChIKeyINMHFPQXOMEGOV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.12
Rot. Bonds3

About 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine

1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine (PubChem CID 171070054) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
PubChem CID171070054
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-15-2-4-17(5-3-15)20-10-6-16(7-11-20)14-19-12-8-18-9-13-19/h2-5,16,18H,6-14H2,1H3
InChIKeyINMHFPQXOMEGOV-UHFFFAOYSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
2-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-2-azaspiro[3.3]heptane
CID 171069524
ethane;2-(hydroxymethyl)-4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 177052019
1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 171429413
1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 177134591
1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine
CID 171070002
9-[(1,1-dimethylpiperidin-1-ium-4-yl)methyl]-3-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 174313926
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine (CID 171070054) is 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine is Cc1ccc(N2CCC(CN3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is INMHFPQXOMEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-2-4-17(5-3-15)20-10-6-16(7-11-20)14-19-12-8-18-9-13-19/h2-5,16,18H,6-14H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine?
1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 171070054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).