1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine

C15H22N2O2 — CID 106930522

IUPAC1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
SMILESc1cc(N2CCNCC2)ccc1OCOCC1CC1
InChIInChI=1S/C15H22N2O2/c1-2-13(1)11-18-12-19-15-5-3-14(4-6-15)17-9-7-16-8-10-17/h3-6,13,16H,1-2,7-12H2
InChIKeyASIZIQZJSOKRLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds6

About 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine

1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine (PubChem CID 106930522) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
PubChem CID106930522
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
SMILESc1cc(N2CCNCC2)ccc1OCOCC1CC1
InChIInChI=1S/C15H22N2O2/c1-2-13(1)11-18-12-19-15-5-3-14(4-6-15)17-9-7-16-8-10-17/h3-6,13,16H,1-2,7-12H2
InChIKeyASIZIQZJSOKRLW-UHFFFAOYSA-N
XLogP1.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine?
The IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine (CID 106930522) is 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine?
The canonical SMILES for 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine is c1cc(N2CCNCC2)ccc1OCOCC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine?
The InChIKey is ASIZIQZJSOKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-13(1)11-18-12-19-15-5-3-14(4-6-15)17-9-7-16-8-10-17/h3-6,13,16H,1-2,7-12H2.
What are the key properties of 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine?
1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine has a molecular weight of 262.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine is sourced from PubChem (CID 106930522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).