1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine

C22H37N3 — CID 91315329

IUPAC1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
SMILESCCCN1CCC(c2cccc(CCCN3CCN(C)CC3)c2)CC1
InChIInChI=1S/C22H37N3/c1-3-11-24-13-9-21(10-14-24)22-8-4-6-20(19-22)7-5-12-25-17-15-23(2)16-18-25/h4,6,8,19,21H,3,5,7,9-18H2,1-2H3
InChIKeyXIQXBRJYJSOHDP-UHFFFAOYSA-N
MW343.56 g/mol
LogP3.46
Rot. Bonds7

About 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine

1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine (PubChem CID 91315329) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
PubChem CID91315329
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
SMILESCCCN1CCC(c2cccc(CCCN3CCN(C)CC3)c2)CC1
InChIInChI=1S/C22H37N3/c1-3-11-24-13-9-21(10-14-24)22-8-4-6-20(19-22)7-5-12-25-17-15-23(2)16-18-25/h4,6,8,19,21H,3,5,7,9-18H2,1-2H3
InChIKeyXIQXBRJYJSOHDP-UHFFFAOYSA-N
XLogP3.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine (CID 91315329) is 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine is CCCN1CCC(c2cccc(CCCN3CCN(C)CC3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine?
The InChIKey is XIQXBRJYJSOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-3-11-24-13-9-21(10-14-24)22-8-4-6-20(19-22)7-5-12-25-17-15-23(2)16-18-25/h4,6,8,19,21H,3,5,7,9-18H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine?
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine has a molecular weight of 343.56 g/mol, XLogP of 3.46, 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-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine is sourced from PubChem (CID 91315329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).