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

C22H28N2O — CID 126803823

IUPAC[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H28N2O/c25-16-17-9-11-24(12-10-17)22-8-4-3-7-21(22)23-15-18-13-19-5-1-2-6-20(19)14-18/h1-8,17-18,23,25H,9-16H2
InChIKeyIJSQGFFDJNSZAM-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.72
Rot. Bonds5

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

[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol (PubChem CID 126803823) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
PubChem CID126803823
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H28N2O/c25-16-17-9-11-24(12-10-17)22-8-4-3-7-21(22)23-15-18-13-19-5-1-2-6-20(19)14-18/h1-8,17-18,23,25H,9-16H2
InChIKeyIJSQGFFDJNSZAM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 75435744

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol (CID 126803823) is [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccccc2NCC2Cc3ccccc3C2)CC1.
What is the InChIKey of [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The InChIKey is IJSQGFFDJNSZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-16-17-9-11-24(12-10-17)22-8-4-3-7-21(22)23-15-18-13-19-5-1-2-6-20(19)14-18/h1-8,17-18,23,25H,9-16H2.
What are the key properties of [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol?
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol has a molecular weight of 336.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 126803823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).