1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol

C30H40N2O2 — CID 67987980

IUPAC1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
SMILESCC(C)N(CCOc1ccc(Cc2c(N3CCC(O)CC3)ccc3ccccc23)cc1)C(C)C
InChIInChI=1S/C30H40N2O2/c1-22(2)32(23(3)4)19-20-34-27-12-9-24(10-13-27)21-29-28-8-6-5-7-25(28)11-14-30(29)31-17-15-26(33)16-18-31/h5-14,22-23,26,33H,15-21H2,1-4H3
InChIKeyJAOJIDWNIOGJJA-UHFFFAOYSA-N
MW460.66 g/mol
LogP5.89
Rot. Bonds9

About 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol

1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol (PubChem CID 67987980) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
PubChem CID67987980
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
SMILESCC(C)N(CCOc1ccc(Cc2c(N3CCC(O)CC3)ccc3ccccc23)cc1)C(C)C
InChIInChI=1S/C30H40N2O2/c1-22(2)32(23(3)4)19-20-34-27-12-9-24(10-13-27)21-29-28-8-6-5-7-25(28)11-14-30(29)31-17-15-26(33)16-18-31/h5-14,22-23,26,33H,15-21H2,1-4H3
InChIKeyJAOJIDWNIOGJJA-UHFFFAOYSA-N
XLogP5.89
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
CID 54578724
1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
CID 57388173
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone
CID 86147532
N-[2-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]methyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 22743058
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol
CID 60539263
1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol
CID 10047489
2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
CID 110452589
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]guanidine
CID 111248411
1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 18452845
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
CID 70081398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol (CID 67987980) is 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol is CC(C)N(CCOc1ccc(Cc2c(N3CCC(O)CC3)ccc3ccccc23)cc1)C(C)C.
What is the InChIKey of 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol?
The InChIKey is JAOJIDWNIOGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-22(2)32(23(3)4)19-20-34-27-12-9-24(10-13-27)21-29-28-8-6-5-7-25(28)11-14-30(29)31-17-15-26(33)16-18-31/h5-14,22-23,26,33H,15-21H2,1-4H3.
What are the key properties of 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol?
1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol has a molecular weight of 460.66 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol is sourced from PubChem (CID 67987980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).