1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine

C22H33N3 — CID 10807028

IUPAC1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine
SMILESc1ccc2c(c1)CCCC2CCCN1CCN(C2=NCCCC2)CC1
InChIInChI=1S/C22H33N3/c1-2-11-21-19(7-1)8-5-9-20(21)10-6-14-24-15-17-25(18-16-24)22-12-3-4-13-23-22/h1-2,7,11,20H,3-6,8-10,12-18H2
InChIKeyTUSMXFKAPZNQSR-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.09
Rot. Bonds4

About 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine

1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine (PubChem CID 10807028) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine.

Molecular Properties

Compound Name1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine
PubChem CID10807028
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine
SMILESc1ccc2c(c1)CCCC2CCCN1CCN(C2=NCCCC2)CC1
InChIInChI=1S/C22H33N3/c1-2-11-21-19(7-1)8-5-9-20(21)10-6-14-24-15-17-25(18-16-24)22-12-3-4-13-23-22/h1-2,7,11,20H,3-6,8-10,12-18H2
InChIKeyTUSMXFKAPZNQSR-UHFFFAOYSA-N
XLogP4.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine?
The IUPAC name of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine (CID 10807028) is 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine.
What is the SMILES notation for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine?
The canonical SMILES for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine is c1ccc2c(c1)CCCC2CCCN1CCN(C2=NCCCC2)CC1.
What is the InChIKey of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine?
The InChIKey is TUSMXFKAPZNQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-2-11-21-19(7-1)8-5-9-20(21)10-6-14-24-15-17-25(18-16-24)22-12-3-4-13-23-22/h1-2,7,11,20H,3-6,8-10,12-18H2.
What are the key properties of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine?
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine has a molecular weight of 339.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-(2,3,4,5-tetrahydropyridin-6-yl)piperazine is sourced from PubChem (CID 10807028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).