[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol

C22H28N2O — CID 120858037

IUPAC[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C22H28N2O/c25-17-22(15-18-5-2-1-3-6-18)10-13-24(14-11-22)16-20-8-4-7-19-9-12-23-21(19)20/h1-8,23,25H,9-17H2
InChIKeyIREOLYSBEGLKOK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.47
Rot. Bonds5

About [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol

[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol (PubChem CID 120858037) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol
PubChem CID120858037
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C22H28N2O/c25-17-22(15-18-5-2-1-3-6-18)10-13-24(14-11-22)16-20-8-4-7-19-9-12-23-21(19)20/h1-8,23,25H,9-17H2
InChIKeyIREOLYSBEGLKOK-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
CID 120856919
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol (CID 120858037) is [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol is OCC1(Cc2ccccc2)CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is IREOLYSBEGLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-17-22(15-18-5-2-1-3-6-18)10-13-24(14-11-22)16-20-8-4-7-19-9-12-23-21(19)20/h1-8,23,25H,9-17H2.
What are the key properties of [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol?
[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 336.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 120858037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).