4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine

C21H42N4 — CID 144642075

IUPAC4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine
SMILESCC/C(C)=C\C(CCC(CC)C1CCNCC1N)N1CCN(C)CC1
InChIInChI=1S/C21H42N4/c1-5-17(3)15-19(25-13-11-24(4)12-14-25)8-7-18(6-2)20-9-10-23-16-21(20)22/h15,18-21,23H,5-14,16,22H2,1-4H3/b17-15-
InChIKeyMVEIFEPATXBEKG-ICFOKQHNSA-N
MW350.60 g/mol
LogP2.70
Rot. Bonds8

About 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine

4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine (PubChem CID 144642075) has the molecular formula C21H42N4 and a molecular weight of 350.60 g/mol. Its IUPAC name is 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine
PubChem CID144642075
Molecular FormulaC21H42N4
Molecular Weight350.60 g/mol
Exact Mass350.34
IUPAC Name4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine
SMILESCC/C(C)=C\C(CCC(CC)C1CCNCC1N)N1CCN(C)CC1
InChIInChI=1S/C21H42N4/c1-5-17(3)15-19(25-13-11-24(4)12-14-25)8-7-18(6-2)20-9-10-23-16-21(20)22/h15,18-21,23H,5-14,16,22H2,1-4H3/b17-15-
InChIKeyMVEIFEPATXBEKG-ICFOKQHNSA-N
XLogP2.70
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
2-(piperazin-1-yl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
(2E)-N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-3,7-dimethyl-octa-2,6-dien-1-amine
CID 16076554
1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
2-N-[(1S)-1-(4-fluorocyclohexen-1-yl)ethyl]-4-(4-fluorocyclohexyl)-6-N-piperazin-2-ylpiperidine-2,6-diamine
CID 89952017
7-[3-(2,2,6,6-Tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene
CID 156905654
N'-[3-[1,5-bis(4-propan-2-ylcyclohexen-1-yl)pentan-3-ylamino]propyl]propane-1,3-diamine
CID 21396654
N'-[3-[2,8-bis(4-methylcyclohex-3-en-1-yl)nonan-5-ylamino]propyl]propane-1,3-diamine
CID 21396655
N'-[2-[2-[1,5-bis(4-propan-2-ylcyclohexen-1-yl)pentan-3-ylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 21396683
(2R)-N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1-[4-(4-chlorocyclohex-3-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 58457578
1-(1-Cyclohexyl-3-methylbut-2-enyl)piperazine
CID 58786386
1-(1-Cyclohexyl-3-methylbut-2-enyl)piperazine;dihydrochloride
CID 69431212

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine?
The IUPAC name of 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine (CID 144642075) is 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine?
The canonical SMILES for 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine is CC/C(C)=C\C(CCC(CC)C1CCNCC1N)N1CCN(C)CC1.
What is the InChIKey of 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine?
The InChIKey is MVEIFEPATXBEKG-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H42N4/c1-5-17(3)15-19(25-13-11-24(4)12-14-25)8-7-18(6-2)20-9-10-23-16-21(20)22/h15,18-21,23H,5-14,16,22H2,1-4H3/b17-15-.
What are the key properties of 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine?
4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine has a molecular weight of 350.60 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine is sourced from PubChem (CID 144642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).