1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine

C15H30N2O — CID 114097844

IUPAC1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCCOCC2CC2)C(C)CN1
InChIInChI=1S/C15H30N2O/c1-12(2)15-10-17(13(3)9-16-15)7-4-8-18-11-14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyCAKLDFHBGKFPNB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine

1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 114097844) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID114097844
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCCOCC2CC2)C(C)CN1
InChIInChI=1S/C15H30N2O/c1-12(2)15-10-17(13(3)9-16-15)7-4-8-18-11-14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyCAKLDFHBGKFPNB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(4-methylpentyl)-5-propan-2-ylpiperazine
CID 64937614
2-methyl-5-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008768
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
1-(2,2-difluoroethyl)-2-methyl-5-propan-2-ylpiperazine
CID 64831726
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2-methyl-5-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350021
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine (CID 114097844) is 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(CCCOCC2CC2)C(C)CN1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is CAKLDFHBGKFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)15-10-17(13(3)9-16-15)7-4-8-18-11-14-5-6-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine?
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 114097844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).