1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol

C21H28N2O2 — CID 131961953

IUPAC1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCC(NCc1ccccc1CN1CCC(O)CC1)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-16(17-7-4-8-21(25)13-17)22-14-18-5-2-3-6-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,16,20,22,24-25H,9-12,14-15H2,1H3
InChIKeyRYPFHVMFAMBQBR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.20
Rot. Bonds6

About 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 131961953) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID131961953
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCC(NCc1ccccc1CN1CCC(O)CC1)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-16(17-7-4-8-21(25)13-17)22-14-18-5-2-3-6-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,16,20,22,24-25H,9-12,14-15H2,1H3
InChIKeyRYPFHVMFAMBQBR-UHFFFAOYSA-N
XLogP3.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 124615120
(3R)-1-[[2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 124828861
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide
CID 154838011
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol (CID 131961953) is 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol is CC(NCc1ccccc1CN1CCC(O)CC1)c1cccc(O)c1.
What is the InChIKey of 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is RYPFHVMFAMBQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(17-7-4-8-21(25)13-17)22-14-18-5-2-3-6-19(18)15-23-11-9-20(24)10-12-23/h2-8,13,16,20,22,24-25H,9-12,14-15H2,1H3.
What are the key properties of 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 340.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 131961953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).