1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol

C22H27N3O — CID 23392120

IUPAC1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O/c26-19(14-23-18-6-2-1-3-7-18)16-25-12-10-17(11-13-25)21-15-24-22-9-5-4-8-20(21)22/h1-9,15,17,19,23-24,26H,10-14,16H2
InChIKeyBFOKOZNBJUOFDY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.82
Rot. Bonds6

About 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol

1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol (PubChem CID 23392120) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
PubChem CID23392120
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O/c26-19(14-23-18-6-2-1-3-7-18)16-25-12-10-17(11-13-25)21-15-24-22-9-5-4-8-20(21)22/h1-9,15,17,19,23-24,26H,10-14,16H2
InChIKeyBFOKOZNBJUOFDY-UHFFFAOYSA-N
XLogP3.82
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125145329
4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-4-ol
CID 58950812
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
CID 17437228
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-[1-(5-phenyl-1,3-oxazol-2-yl)piperidin-4-yl]ethanol
CID 46841569
1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol (CID 23392120) is 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol is OC(CNc1ccccc1)CN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is BFOKOZNBJUOFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-19(14-23-18-6-2-1-3-7-18)16-25-12-10-17(11-13-25)21-15-24-22-9-5-4-8-20(21)22/h1-9,15,17,19,23-24,26H,10-14,16H2.
What are the key properties of 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol?
1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 349.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 23392120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).