3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine

C25H29NO — CID 173295938

IUPAC3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
SMILESCCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H29NO/c1-2-5-19-8-12-22(13-9-19)24-14-15-26-17-25(24)27-18-20-10-11-21-6-3-4-7-23(21)16-20/h3-4,6-13,16,24-26H,2,5,14-15,17-18H2,1H3
InChIKeyFPDZDWQWGPTEAN-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.45
Rot. Bonds6

About 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine

3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine (PubChem CID 173295938) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
PubChem CID173295938
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
SMILESCCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H29NO/c1-2-5-19-8-12-22(13-9-19)24-14-15-26-17-25(24)27-18-20-10-11-21-6-3-4-7-23(21)16-20/h3-4,6-13,16,24-26H,2,5,14-15,17-18H2,1H3
InChIKeyFPDZDWQWGPTEAN-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
(3R,4S)-4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 129385045
1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol
CID 70129566
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
CID 22128244
tert-butyl formate;[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 174435135
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine (CID 173295938) is 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine is CCCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine?
The InChIKey is FPDZDWQWGPTEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-2-5-19-8-12-22(13-9-19)24-14-15-26-17-25(24)27-18-20-10-11-21-6-3-4-7-23(21)16-20/h3-4,6-13,16,24-26H,2,5,14-15,17-18H2,1H3.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine?
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine has a molecular weight of 359.51 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine is sourced from PubChem (CID 173295938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).