1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol

C24H28NO2+ — CID 7911135

IUPAC1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27NO2/c1-27-21-9-7-20-8-10-24(26)23(22(20)16-21)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19,26H,11-15,17H2,1H3/p+1
InChIKeySFPHIPVOERTKMX-UHFFFAOYSA-O
MW362.49 g/mol
LogP3.59
Rot. Bonds5

About 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol

1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol (PubChem CID 7911135) has the molecular formula C24H28NO2+ and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol
PubChem CID7911135
Molecular FormulaC24H28NO2+
Molecular Weight362.49 g/mol
Exact Mass362.21
IUPAC Name1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H27NO2/c1-27-21-9-7-20-8-10-24(26)23(22(20)16-21)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19,26H,11-15,17H2,1H3/p+1
InChIKeySFPHIPVOERTKMX-UHFFFAOYSA-O
XLogP3.59
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol
CID 7897158
azepan-1-yl-[1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone
CID 9320161
7-methoxy-1-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]naphthalen-2-ol
CID 8892910
4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxychromen-2-one
CID 1398579
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol
CID 9330737
N-tert-butyl-2-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9245296
1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol
CID 9324179
7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
CID 95150098
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
CID 7375018
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol?
The IUPAC name of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol (CID 7911135) is 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol.
What is the SMILES notation for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol?
The canonical SMILES for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol is COc1ccc2ccc(O)c(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol?
The InChIKey is SFPHIPVOERTKMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27NO2/c1-27-21-9-7-20-8-10-24(26)23(22(20)16-21)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19,26H,11-15,17H2,1H3/p+1.
What are the key properties of 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol?
1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol has a molecular weight of 362.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol is sourced from PubChem (CID 7911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).