1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine

C17H31N3 — CID 90942197

IUPAC1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine
SMILESCCCCCCC1=C(C)C=CCN1N1CCN(C)CC1
InChIInChI=1S/C17H31N3/c1-4-5-6-7-10-17-16(2)9-8-11-20(17)19-14-12-18(3)13-15-19/h8-9H,4-7,10-15H2,1-3H3
InChIKeyVHALLSVQFIZVLN-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.27
Rot. Bonds6

About 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine

1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine (PubChem CID 90942197) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine
PubChem CID90942197
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine
SMILESCCCCCCC1=C(C)C=CCN1N1CCN(C)CC1
InChIInChI=1S/C17H31N3/c1-4-5-6-7-10-17-16(2)9-8-11-20(17)19-14-12-18(3)13-15-19/h8-9H,4-7,10-15H2,1-3H3
InChIKeyVHALLSVQFIZVLN-UHFFFAOYSA-N
XLogP3.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(2Z,4E)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-(trifluoromethyl)hepta-2,4,6-trienyl]piperazine
CID 126748900
1-(Cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine
CID 18465668
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371110
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
CID 90845625
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methyl-1,4-diazepane
CID 91215272
1-(5-Ethyl-4-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 123762467
(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine
CID 135269560
1-[4-[(4E)-4-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]but-1-en-2-yl]-4-methylpiperazine
CID 137382270
1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane
CID 142014840
ethane;1-[(5Z,6E)-6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-4-methylpiperazine
CID 142014843
N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine
CID 142068038
ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine
CID 142115015

Frequently Asked Questions

What is the IUPAC name of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine (CID 90942197) is 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine is CCCCCCC1=C(C)C=CCN1N1CCN(C)CC1.
What is the InChIKey of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine?
The InChIKey is VHALLSVQFIZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-5-6-7-10-17-16(2)9-8-11-20(17)19-14-12-18(3)13-15-19/h8-9H,4-7,10-15H2,1-3H3.
What are the key properties of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine?
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine has a molecular weight of 277.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine is sourced from PubChem (CID 90942197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).