7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol

C27H27NO2 — CID 127028202

IUPAC7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C(c3cccc4ccccc34)N3CCCCC3)c2c1
InChIInChI=1S/C27H27NO2/c1-30-21-14-12-20-13-15-25(29)26(24(20)18-21)27(28-16-5-2-6-17-28)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,18,27,29H,2,5-6,16-17H2,1H3
InChIKeyHQNNYZDZYGVDFL-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.28
Rot. Bonds4

About 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol

7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol (PubChem CID 127028202) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
PubChem CID127028202
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C(c3cccc4ccccc34)N3CCCCC3)c2c1
InChIInChI=1S/C27H27NO2/c1-30-21-14-12-20-13-15-25(29)26(24(20)18-21)27(28-16-5-2-6-17-28)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,18,27,29H,2,5-6,16-17H2,1H3
InChIKeyHQNNYZDZYGVDFL-UHFFFAOYSA-N
XLogP6.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
CID 23500857
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
CID 135757849
1-[(2,3-difluorophenyl)-thiomorpholin-4-ylmethyl]naphthalen-2-ol
CID 102454941
6-methoxy-1-piperidin-1-ylnaphthalen-2-ol
CID 141446934
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3663776

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol (CID 127028202) is 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol is COc1ccc2ccc(O)c(C(c3cccc4ccccc34)N3CCCCC3)c2c1.
What is the InChIKey of 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is HQNNYZDZYGVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-30-21-14-12-20-13-15-25(29)26(24(20)18-21)27(28-16-5-2-6-17-28)23-11-7-9-19-8-3-4-10-22(19)23/h3-4,7-15,18,27,29H,2,5-6,16-17H2,1H3.
What are the key properties of 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol?
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 397.52 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 127028202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).