methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride

C34H40ClNO4 — CID 159882747

IUPACmethanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride
SMILESCO.Cl.O=C(Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C33H35NO3.CH4O.ClH/c35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)37-20-6-19-36-24-25-7-2-1-3-8-25;1-2;/h1-5,7-16,21,31-32,34H,6,17-20,22-24H2;2H,1H3;1H
InChIKeyGVVBCIHDLSRRLB-UHFFFAOYSA-N
MW562.15 g/mol
LogP6.36
Rot. Bonds11

About methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride

methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride (PubChem CID 159882747) has the molecular formula C34H40ClNO4 and a molecular weight of 562.15 g/mol. Its IUPAC name is methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Namemethanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride
PubChem CID159882747
Molecular FormulaC34H40ClNO4
Molecular Weight562.15 g/mol
Exact Mass561.26
IUPAC Namemethanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride
SMILESCO.Cl.O=C(Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C33H35NO3.CH4O.ClH/c35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)37-20-6-19-36-24-25-7-2-1-3-8-25;1-2;/h1-5,7-16,21,31-32,34H,6,17-20,22-24H2;2H,1H3;1H
InChIKeyGVVBCIHDLSRRLB-UHFFFAOYSA-N
XLogP6.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.15
LogP ≤ 56.36
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

(NZ)-N-[2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethylidene]hydroxylamine
CID 87931356
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
CID 70091294
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
CID 22127202
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
(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-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 22127050

Frequently Asked Questions

What is the IUPAC name of methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride?
The IUPAC name of methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride (CID 159882747) is methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride.
What is the SMILES notation for methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride?
The canonical SMILES for methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride is CO.Cl.O=C(Cc1ccc2ccccc2c1)C1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1.
What is the InChIKey of methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride?
The InChIKey is GVVBCIHDLSRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO3.CH4O.ClH/c35-33(22-26-11-12-27-9-4-5-10-29(27)21-26)32-23-34-18-17-31(32)28-13-15-30(16-14-28)37-20-6-19-36-24-25-7-2-1-3-8-25;1-2;/h1-5,7-16,21,31-32,34H,6,17-20,22-24H2;2H,1H3;1H.
What are the key properties of methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride?
methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride has a molecular weight of 562.15 g/mol, XLogP of 6.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-naphthalen-2-yl-1-[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 159882747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).