[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol

C16H22N2O — CID 95857188

IUPAC[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1c(CN2CCC[C@@H](CO)C2)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-14-6-2-3-7-15(14)17-16(12)10-18-8-4-5-13(9-18)11-19/h2-3,6-7,13,17,19H,4-5,8-11H2,1H3/t13-/m1/s1
InChIKeyOKVKVVRWCVMMQM-CYBMUJFWSA-N
MW258.37 g/mol
LogP2.68
Rot. Bonds3

About [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 95857188) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID95857188
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1c(CN2CCC[C@@H](CO)C2)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-14-6-2-3-7-15(14)17-16(12)10-18-8-4-5-13(9-18)11-19/h2-3,6-7,13,17,19H,4-5,8-11H2,1H3/t13-/m1/s1
InChIKeyOKVKVVRWCVMMQM-CYBMUJFWSA-N
XLogP2.68
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95227221
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212657
N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 56709660
N-[[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212656
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
CID 46967077
2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 51901852
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol (CID 95857188) is [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol is Cc1c(CN2CCC[C@@H](CO)C2)[nH]c2ccccc12.
What is the InChIKey of [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is OKVKVVRWCVMMQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-14-6-2-3-7-15(14)17-16(12)10-18-8-4-5-13(9-18)11-19/h2-3,6-7,13,17,19H,4-5,8-11H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 258.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95857188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).