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

Fenpropidin
CID 91694
Fenpiprane
CID 197785
Diphemanil
CID 6127
3-(3-cyanophenyl)-N-n-propylpiperidine
CID 5119
2-(4-Benzylpiperidin-1-yl)ethan-1-amine
CID 2779831
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
3-Phenylquinuclidine
CID 604334
Piperidine, 4-(diphenylmethylene)-1-methyl-
CID 95734
1,1-Dimethyl-4-phenylpiperidin-1-ium iodide
CID 202330
3-(3,5-Dimethylphenyl)-1-propylpiperidine
CID 10775901
3-Benzhydrylquinuclidine
CID 23169640
3,3-Dimethyl-1-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperidine
CID 10590294

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).