2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol

C26H31NO3 — CID 57388624

IUPAC2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H31NO3/c28-17-19-30-26-13-10-22-6-2-3-7-24(22)25(26)20-21-8-11-23(12-9-21)29-18-16-27-14-4-1-5-15-27/h2-3,6-13,28H,1,4-5,14-20H2
InChIKeyJDQGXUXEVJRNHQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.67
Rot. Bonds9

About 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol

2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol (PubChem CID 57388624) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
PubChem CID57388624
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C26H31NO3/c28-17-19-30-26-13-10-22-6-2-3-7-24(22)25(26)20-21-8-11-23(12-9-21)29-18-16-27-14-4-1-5-15-27/h2-3,6-13,28H,1,4-5,14-20H2
InChIKeyJDQGXUXEVJRNHQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
CID 54578724
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine
CID 1635
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenol
CID 18318461
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenyl]ethyl]pyrrolidine
CID 10815576
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol (CID 57388624) is 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol is OCCOc1ccc2ccccc2c1Cc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol?
The InChIKey is JDQGXUXEVJRNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c28-17-19-30-26-13-10-22-6-2-3-7-24(22)25(26)20-21-8-11-23(12-9-21)29-18-16-27-14-4-1-5-15-27/h2-3,6-13,28H,1,4-5,14-20H2.
What are the key properties of 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol?
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol has a molecular weight of 405.54 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 57388624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).