1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine

C21H34N4O — CID 56889455

IUPAC1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
SMILESC=CCCC(CN1CCCC1)Oc1ccc(CN2CCN(C)CC2)cn1
InChIInChI=1S/C21H34N4O/c1-3-4-7-20(18-24-10-5-6-11-24)26-21-9-8-19(16-22-21)17-25-14-12-23(2)13-15-25/h3,8-9,16,20H,1,4-7,10-15,17-18H2,2H3
InChIKeyRKDZMWBWWXDJJQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.64
Rot. Bonds9

About 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine

1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine (PubChem CID 56889455) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
PubChem CID56889455
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
SMILESC=CCCC(CN1CCCC1)Oc1ccc(CN2CCN(C)CC2)cn1
InChIInChI=1S/C21H34N4O/c1-3-4-7-20(18-24-10-5-6-11-24)26-21-9-8-19(16-22-21)17-25-14-12-23(2)13-15-25/h3,8-9,16,20H,1,4-7,10-15,17-18H2,2H3
InChIKeyRKDZMWBWWXDJJQ-UHFFFAOYSA-N
XLogP2.64
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine (CID 56889455) is 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine is C=CCCC(CN1CCCC1)Oc1ccc(CN2CCN(C)CC2)cn1.
What is the InChIKey of 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine?
The InChIKey is RKDZMWBWWXDJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-3-4-7-20(18-24-10-5-6-11-24)26-21-9-8-19(16-22-21)17-25-14-12-23(2)13-15-25/h3,8-9,16,20H,1,4-7,10-15,17-18H2,2H3.
What are the key properties of 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine?
1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine has a molecular weight of 358.53 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 56889455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).