1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine

C19H34N2 — CID 574983

IUPAC1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine
SMILESCC1CC2=C(CC1CN1CCN(C)CC1)C(C)(C)CCC2
InChIInChI=1S/C19H34N2/c1-15-12-16-6-5-7-19(2,3)18(16)13-17(15)14-21-10-8-20(4)9-11-21/h15,17H,5-14H2,1-4H3
InChIKeyDNZOJJXQVWDKTC-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.79
Rot. Bonds2

About 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine

1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine (PubChem CID 574983) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine
PubChem CID574983
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine
SMILESCC1CC2=C(CC1CN1CCN(C)CC1)C(C)(C)CCC2
InChIInChI=1S/C19H34N2/c1-15-12-16-6-5-7-19(2,3)18(16)13-17(15)14-21-10-8-20(4)9-11-21/h15,17H,5-14H2,1-4H3
InChIKeyDNZOJJXQVWDKTC-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine (CID 574983) is 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine is CC1CC2=C(CC1CN1CCN(C)CC1)C(C)(C)CCC2.
What is the InChIKey of 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine?
The InChIKey is DNZOJJXQVWDKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15-12-16-6-5-7-19(2,3)18(16)13-17(15)14-21-10-8-20(4)9-11-21/h15,17H,5-14H2,1-4H3.
What are the key properties of 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine?
1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine has a molecular weight of 290.50 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine is sourced from PubChem (CID 574983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).