[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

C20H24N2O3 — CID 167820696

IUPAC[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNCc1cccc(-c2cccc(C(=O)N3CCC(CO)C(O)C3)c2)c1
InChIInChI=1S/C20H24N2O3/c21-11-14-3-1-4-15(9-14)16-5-2-6-17(10-16)20(25)22-8-7-18(13-23)19(24)12-22/h1-6,9-10,18-19,23-24H,7-8,11-13,21H2
InChIKeyASGYGHVVXXRQTQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.63
Rot. Bonds4

About [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 167820696) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID167820696
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNCc1cccc(-c2cccc(C(=O)N3CCC(CO)C(O)C3)c2)c1
InChIInChI=1S/C20H24N2O3/c21-11-14-3-1-4-15(9-14)16-5-2-6-17(10-16)20(25)22-8-7-18(13-23)19(24)12-22/h1-6,9-10,18-19,23-24H,7-8,11-13,21H2
InChIKeyASGYGHVVXXRQTQ-UHFFFAOYSA-N
XLogP1.63
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 155500535
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
methyl 4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 155503093
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339

Frequently Asked Questions

What is the IUPAC name of [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 167820696) is [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is NCc1cccc(-c2cccc(C(=O)N3CCC(CO)C(O)C3)c2)c1.
What is the InChIKey of [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ASGYGHVVXXRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-11-14-3-1-4-15(9-14)16-5-2-6-17(10-16)20(25)22-8-7-18(13-23)19(24)12-22/h1-6,9-10,18-19,23-24H,7-8,11-13,21H2.
What are the key properties of [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 167820696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).