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

C18H30N2O — CID 170863858

IUPAC1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
SMILESCCCOc1ccc(CCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H30N2O/c1-4-14-21-18-8-7-17(15-16(18)2)6-5-9-20-12-10-19(3)11-13-20/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyBECBESFYMHJBKF-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds7

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

1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine (PubChem CID 170863858) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
PubChem CID170863858
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
SMILESCCCOc1ccc(CCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C18H30N2O/c1-4-14-21-18-8-7-17(15-16(18)2)6-5-9-20-12-10-19(3)11-13-20/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyBECBESFYMHJBKF-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
4-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]-1,4-diazepan-5-one
CID 167768314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine (CID 170863858) is 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine is CCCOc1ccc(CCCN2CCN(C)CC2)cc1C.
What is the InChIKey of 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine?
The InChIKey is BECBESFYMHJBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-14-21-18-8-7-17(15-16(18)2)6-5-9-20-12-10-19(3)11-13-20/h7-8,15H,4-6,9-14H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine?
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine is sourced from PubChem (CID 170863858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).