1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine

C18H27N — CID 10563122

IUPAC1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
SMILESc1ccc2c(c1)CCCC2CCCN1CCCCC1
InChIInChI=1S/C18H27N/c1-4-13-19(14-5-1)15-7-11-17-10-6-9-16-8-2-3-12-18(16)17/h2-3,8,12,17H,1,4-7,9-11,13-15H2
InChIKeyATEDSMZPEGWBHY-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.37
Rot. Bonds4

About 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine

1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine (PubChem CID 10563122) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
PubChem CID10563122
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
SMILESc1ccc2c(c1)CCCC2CCCN1CCCCC1
InChIInChI=1S/C18H27N/c1-4-13-19(14-5-1)15-7-11-17-10-6-9-16-8-2-3-12-18(16)17/h2-3,8,12,17H,1,4-7,9-11,13-15H2
InChIKeyATEDSMZPEGWBHY-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The IUPAC name of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine (CID 10563122) is 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine.
What is the SMILES notation for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The canonical SMILES for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine is c1ccc2c(c1)CCCC2CCCN1CCCCC1.
What is the InChIKey of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The InChIKey is ATEDSMZPEGWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-13-19(14-5-1)15-7-11-17-10-6-9-16-8-2-3-12-18(16)17/h2-3,8,12,17H,1,4-7,9-11,13-15H2.
What are the key properties of 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine has a molecular weight of 257.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine is sourced from PubChem (CID 10563122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).