4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine

C30H35NO2 — CID 170706641

IUPAC4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc([C@@H]3c4ccccc4CC[C@@H]3c3ccccc3)cc2)CC1
InChIInChI=1S/C30H35NO2/c1-32-30(33-2)25-18-20-31(21-19-25)26-15-12-24(13-16-26)29-27-11-7-6-10-23(27)14-17-28(29)22-8-4-3-5-9-22/h3-13,15-16,25,28-30H,14,17-21H2,1-2H3/t28-,29-/m1/s1
InChIKeyVWOKDZUTMMYHLH-FQLXRVMXSA-N
MW441.62 g/mol
LogP6.38
Rot. Bonds6

About 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine

4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine (PubChem CID 170706641) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine
PubChem CID170706641
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Name4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine
SMILESCOC(OC)C1CCN(c2ccc([C@@H]3c4ccccc4CC[C@@H]3c3ccccc3)cc2)CC1
InChIInChI=1S/C30H35NO2/c1-32-30(33-2)25-18-20-31(21-19-25)26-15-12-24(13-16-26)29-27-11-7-6-10-23(27)14-17-28(29)22-8-4-3-5-9-22/h3-13,15-16,25,28-30H,14,17-21H2,1-2H3/t28-,29-/m1/s1
InChIKeyVWOKDZUTMMYHLH-FQLXRVMXSA-N
XLogP6.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
CID 178025148
(5R,6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 175878046
(5R,6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170705963
(5S,6R)-6-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170706311
5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 175994168
4-(dimethoxymethyl)-1-[4-[(1S,2R,3S)-6-methoxy-3-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine
CID 170706130
(5S,6R)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170706494
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
2-[(5R,6R)-6-cyclopentyl-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 171059030
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975
2-[(5R,6R)-6-(cyclopropylmethyl)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 171059029

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine?
The IUPAC name of 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine (CID 170706641) is 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine.
What is the SMILES notation for 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine?
The canonical SMILES for 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine is COC(OC)C1CCN(c2ccc([C@@H]3c4ccccc4CC[C@@H]3c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine?
The InChIKey is VWOKDZUTMMYHLH-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H35NO2/c1-32-30(33-2)25-18-20-31(21-19-25)26-15-12-24(13-16-26)29-27-11-7-6-10-23(27)14-17-28(29)22-8-4-3-5-9-22/h3-13,15-16,25,28-30H,14,17-21H2,1-2H3/t28-,29-/m1/s1.
What are the key properties of 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine?
4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine has a molecular weight of 441.62 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-[4-[(1R,2S)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine is sourced from PubChem (CID 170706641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).