(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine

C34H70N2 — CID 174045184

IUPAC(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine
SMILESCCCCCCCC(C)CN1C[C@@H](CC)N(CC(CCCCCCC)CCCCCCC)[C@@H](CC)C1
InChIInChI=1S/C34H70N2/c1-7-12-15-18-21-24-31(6)27-35-29-33(10-4)36(34(11-5)30-35)28-32(25-22-19-16-13-8-2)26-23-20-17-14-9-3/h31-34H,7-30H2,1-6H3/t31?,33-,34+
InChIKeyQVVUQZKOKFEXSD-XFFAWDAHSA-N
MW506.95 g/mol
LogP10.49
Rot. Bonds24

About (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine

(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine (PubChem CID 174045184) has the molecular formula C34H70N2 and a molecular weight of 506.95 g/mol. Its IUPAC name is (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine.

Molecular Properties

Compound Name(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine
PubChem CID174045184
Molecular FormulaC34H70N2
Molecular Weight506.95 g/mol
Exact Mass506.55
IUPAC Name(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine
SMILESCCCCCCCC(C)CN1C[C@@H](CC)N(CC(CCCCCCC)CCCCCCC)[C@@H](CC)C1
InChIInChI=1S/C34H70N2/c1-7-12-15-18-21-24-31(6)27-35-29-33(10-4)36(34(11-5)30-35)28-32(25-22-19-16-13-8-2)26-23-20-17-14-9-3/h31-34H,7-30H2,1-6H3/t31?,33-,34+
InChIKeyQVVUQZKOKFEXSD-XFFAWDAHSA-N
XLogP10.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.95
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-8-(2-hexyloctyl)-3-(5-methylnonyl)-3,8-diazabicyclo[3.2.1]octane
CID 170006831
13-methyl-24-tetradecyltritetracontane
CID 173071329
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine?
The IUPAC name of (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine (CID 174045184) is (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine.
What is the SMILES notation for (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine?
The canonical SMILES for (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine is CCCCCCCC(C)CN1C[C@@H](CC)N(CC(CCCCCCC)CCCCCCC)[C@@H](CC)C1.
What is the InChIKey of (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine?
The InChIKey is QVVUQZKOKFEXSD-XFFAWDAHSA-N. The full InChI is InChI=1S/C34H70N2/c1-7-12-15-18-21-24-31(6)27-35-29-33(10-4)36(34(11-5)30-35)28-32(25-22-19-16-13-8-2)26-23-20-17-14-9-3/h31-34H,7-30H2,1-6H3/t31?,33-,34+.
What are the key properties of (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine?
(2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine has a molecular weight of 506.95 g/mol, XLogP of 10.49, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-diethyl-1-(2-heptylnonyl)-4-(2-methylnonyl)piperazine is sourced from PubChem (CID 174045184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).