3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol

C32H35NO4 — CID 22127202

IUPAC3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
SMILESOc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc2ccccc12
InChIInChI=1S/C32H35NO4/c34-31-20-25(19-27-9-4-5-10-29(27)31)23-37-32-21-33-16-15-30(32)26-11-13-28(14-12-26)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-14,19-20,30,32-34H,6,15-18,21-23H2
InChIKeyPRRZLSBEKZRPHO-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.19
Rot. Bonds11

About 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol

3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol (PubChem CID 22127202) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol.

Molecular Properties

Compound Name3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
PubChem CID22127202
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Name3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
SMILESOc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc2ccccc12
InChIInChI=1S/C32H35NO4/c34-31-20-25(19-27-9-4-5-10-29(27)31)23-37-32-21-33-16-15-30(32)26-11-13-28(14-12-26)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-14,19-20,30,32-34H,6,15-18,21-23H2
InChIKeyPRRZLSBEKZRPHO-UHFFFAOYSA-N
XLogP6.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
(2R)-3-[[7-[[(3R,4S)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]methoxy]propane-1,2-diol
CID 10232057
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 18793416
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 22127679
3-[(4-hydroxynaphthalen-2-yl)methoxy]-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylic acid
CID 22127119
1-[[4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol
CID 140989368
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
CID 70091294

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol?
The IUPAC name of 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol (CID 22127202) is 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol.
What is the SMILES notation for 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol?
The canonical SMILES for 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol is Oc1cc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc2ccccc12.
What is the InChIKey of 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol?
The InChIKey is PRRZLSBEKZRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c34-31-20-25(19-27-9-4-5-10-29(27)31)23-37-32-21-33-16-15-30(32)26-11-13-28(14-12-26)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-14,19-20,30,32-34H,6,15-18,21-23H2.
What are the key properties of 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol?
3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol has a molecular weight of 497.64 g/mol, XLogP of 6.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol is sourced from PubChem (CID 22127202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).