(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine

C29H28FNO2 — CID 10160522

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
SMILESFc1ccc([C@@H]2CCNC[C@@H]2OCc2cc(OCc3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C29H28FNO2/c30-25-12-10-23(11-13-25)27-14-15-31-18-29(27)33-20-22-16-24-8-4-5-9-26(24)28(17-22)32-19-21-6-2-1-3-7-21/h1-13,16-17,27,29,31H,14-15,18-20H2/t27-,29-/m0/s1
InChIKeyZGYSKNTXDRCQBO-YTMVLYRLSA-N
MW441.55 g/mol
LogP6.22
Rot. Bonds7

About (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine

(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine (PubChem CID 10160522) has the molecular formula C29H28FNO2 and a molecular weight of 441.55 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
PubChem CID10160522
Molecular FormulaC29H28FNO2
Molecular Weight441.55 g/mol
Exact Mass441.21
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
SMILESFc1ccc([C@@H]2CCNC[C@@H]2OCc2cc(OCc3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C29H28FNO2/c30-25-12-10-23(11-13-25)27-14-15-31-18-29(27)33-20-22-16-24-8-4-5-9-26(24)28(17-22)32-19-21-6-2-1-3-7-21/h1-13,16-17,27,29,31H,14-15,18-20H2/t27-,29-/m0/s1
InChIKeyZGYSKNTXDRCQBO-YTMVLYRLSA-N
XLogP6.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine with MolForge

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Related Compounds

3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
CID 22127202
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
4-(4-fluorophenyl)-3-[(8-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126755
[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone
CID 22127779
6-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-2-ol
CID 22127989
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
CID 145126257
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine (CID 10160522) is (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine is Fc1ccc([C@@H]2CCNC[C@@H]2OCc2cc(OCc3ccccc3)c3ccccc3c2)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine?
The InChIKey is ZGYSKNTXDRCQBO-YTMVLYRLSA-N. The full InChI is InChI=1S/C29H28FNO2/c30-25-12-10-23(11-13-25)27-14-15-31-18-29(27)33-20-22-16-24-8-4-5-9-26(24)28(17-22)32-19-21-6-2-1-3-7-21/h1-13,16-17,27,29,31H,14-15,18-20H2/t27-,29-/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine?
(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine has a molecular weight of 441.55 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine is sourced from PubChem (CID 10160522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).