1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

C23H31N3O — CID 10474042

IUPAC1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3
InChIKeyKKPMYWNQZNRGIK-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (PubChem CID 10474042) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
PubChem CID10474042
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3
InChIKeyKKPMYWNQZNRGIK-UHFFFAOYSA-N
XLogP4.11
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (CID 10474042) is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is KKPMYWNQZNRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3.
What are the key properties of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 365.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10474042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).