1-methyl-4-[(3-propoxyphenyl)methyl]piperazine

C15H24N2O — CID 70470634

IUPAC1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-11-18-15-6-4-5-14(12-15)13-17-9-7-16(2)8-10-17/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyRFFMLGKFNCRMHM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds5

About 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine

1-methyl-4-[(3-propoxyphenyl)methyl]piperazine (PubChem CID 70470634) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
PubChem CID70470634
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-11-18-15-6-4-5-14(12-15)13-17-9-7-16(2)8-10-17/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyRFFMLGKFNCRMHM-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
CID 46914775
3-[4-[(3-pentoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856254
[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]boronic acid
CID 142785031
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
3-[4-[[3-(2-ethoxyethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856414
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine (CID 70470634) is 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine is CCCOc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine?
The InChIKey is RFFMLGKFNCRMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-11-18-15-6-4-5-14(12-15)13-17-9-7-16(2)8-10-17/h4-6,12H,3,7-11,13H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine?
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-propoxyphenyl)methyl]piperazine is sourced from PubChem (CID 70470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).