1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine

C21H28N2 — CID 157470023

IUPAC1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine
SMILESc1ccc2c(N3CCCCC3)ccc(CC3CCNCC3)c2c1
InChIInChI=1S/C21H28N2/c1-4-14-23(15-5-1)21-9-8-18(16-17-10-12-22-13-11-17)19-6-2-3-7-20(19)21/h2-3,6-9,17,22H,1,4-5,10-16H2
InChIKeyBUXQBPBENIBJIW-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.37
Rot. Bonds3

About 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine

1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine (PubChem CID 157470023) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine.

Molecular Properties

Compound Name1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine
PubChem CID157470023
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine
SMILESc1ccc2c(N3CCCCC3)ccc(CC3CCNCC3)c2c1
InChIInChI=1S/C21H28N2/c1-4-14-23(15-5-1)21-9-8-18(16-17-10-12-22-13-11-17)19-6-2-3-7-20(19)21/h2-3,6-9,17,22H,1,4-5,10-16H2
InChIKeyBUXQBPBENIBJIW-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine?
The IUPAC name of 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine (CID 157470023) is 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine.
What is the SMILES notation for 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine?
The canonical SMILES for 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine is c1ccc2c(N3CCCCC3)ccc(CC3CCNCC3)c2c1.
What is the InChIKey of 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine?
The InChIKey is BUXQBPBENIBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-4-14-23(15-5-1)21-9-8-18(16-17-10-12-22-13-11-17)19-6-2-3-7-20(19)21/h2-3,6-9,17,22H,1,4-5,10-16H2.
What are the key properties of 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine?
1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine has a molecular weight of 308.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine is sourced from PubChem (CID 157470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).