1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

C32H66N4 — CID 160924526

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C10H22N2/c3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeySSLVYIFFXDNSEA-UHFFFAOYSA-N
MW506.91 g/mol
LogP6.87
Rot. Bonds6

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (PubChem CID 160924526) has the molecular formula C32H66N4 and a molecular weight of 506.91 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
PubChem CID160924526
Molecular FormulaC32H66N4
Molecular Weight506.91 g/mol
Exact Mass506.53
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C10H22N2/c3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeySSLVYIFFXDNSEA-UHFFFAOYSA-N
XLogP6.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.91
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine
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1-(1-cyclohexa-1,5-dien-1-ylprop-2-enyl)piperidine;3,4-diethyl-1-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]piperidine
CID 145602191
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 154548754
3-propan-2-yl-6-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-3,6-diazabicyclo[3.1.1]heptane
CID 156518125
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;propan-2-ylcyclobutane
CID 157087182
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;1-methylpiperidin-4-ide;tungsten
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methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 157598202
1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine
CID 157978532
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
CID 158143139

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (CID 160924526) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The InChIKey is SSLVYIFFXDNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H21N.C10H22N2/c3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine has a molecular weight of 506.91 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 160924526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).