[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol

C22H28N2O — CID 131889725

IUPAC[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C22H28N2O/c25-16-18-4-1-3-17(13-18)15-23-21-9-11-24(12-10-21)22-8-7-19-5-2-6-20(19)14-22/h1,3-4,7-8,13-14,21,23,25H,2,5-6,9-12,15-16H2
InChIKeyVEDUGMJOHWHIDW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.43
Rot. Bonds5

About [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol

[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol (PubChem CID 131889725) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol
PubChem CID131889725
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C22H28N2O/c25-16-18-4-1-3-17(13-18)15-23-21-9-11-24(12-10-21)22-8-7-19-5-2-6-20(19)14-22/h1,3-4,7-8,13-14,21,23,25H,2,5-6,9-12,15-16H2
InChIKeyVEDUGMJOHWHIDW-UHFFFAOYSA-N
XLogP3.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131906221
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
CID 103781783
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1,3-dimethylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 131904950
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
CID 66204627
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649

Frequently Asked Questions

What is the IUPAC name of [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol (CID 131889725) is [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol is OCc1cccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1.
What is the InChIKey of [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol?
The InChIKey is VEDUGMJOHWHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-16-18-4-1-3-17(13-18)15-23-21-9-11-24(12-10-21)22-8-7-19-5-2-6-20(19)14-22/h1,3-4,7-8,13-14,21,23,25H,2,5-6,9-12,15-16H2.
What are the key properties of [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol?
[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol has a molecular weight of 336.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 131889725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).