(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine

C17H34N2 — CID 90141174

IUPAC(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine
SMILESC=C(C(C)C)[C@@H]1CN(CCC(C)C)CCN1C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)8-9-18-10-11-19(15(5)6)17(12-18)16(7)14(3)4/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1
InChIKeyLMQAIJFPTLQPRV-KRWDZBQOSA-N
MW266.47 g/mol
LogP3.64
Rot. Bonds6

About (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine

(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine (PubChem CID 90141174) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine
PubChem CID90141174
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine
SMILESC=C(C(C)C)[C@@H]1CN(CCC(C)C)CCN1C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)8-9-18-10-11-19(15(5)6)17(12-18)16(7)14(3)4/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1
InChIKeyLMQAIJFPTLQPRV-KRWDZBQOSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.64
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 (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine (CID 90141174) is (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine is C=C(C(C)C)[C@@H]1CN(CCC(C)C)CCN1C(C)C.
What is the InChIKey of (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine?
The InChIKey is LMQAIJFPTLQPRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)8-9-18-10-11-19(15(5)6)17(12-18)16(7)14(3)4/h13-15,17H,7-12H2,1-6H3/t17-/m0/s1.
What are the key properties of (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine?
(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 90141174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).