1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine

C16H26N2O — CID 4279742

IUPAC1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
SMILESCC(C)CCOc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)6-11-19-16-5-3-4-15(12-16)13-18-9-7-17-8-10-18/h3-5,12,14,17H,6-11,13H2,1-2H3
InChIKeyUBNNPRWAFSHJAP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds6

About 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine

1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine (PubChem CID 4279742) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
PubChem CID4279742
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
SMILESCC(C)CCOc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-14(2)6-11-19-16-5-3-4-15(12-16)13-18-9-7-17-8-10-18/h3-5,12,14,17H,6-11,13H2,1-2H3
InChIKeyUBNNPRWAFSHJAP-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 4016440
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine
CID 117111625
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine (CID 4279742) is 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine is CC(C)CCOc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine?
The InChIKey is UBNNPRWAFSHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)6-11-19-16-5-3-4-15(12-16)13-18-9-7-17-8-10-18/h3-5,12,14,17H,6-11,13H2,1-2H3.
What are the key properties of 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine?
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 4279742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).