1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol

C16H21N3O3 — CID 101042918

IUPAC1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESO=[N+]([O-])c1cc2ccccc2n1CC(O)CN1CCCCC1
InChIInChI=1S/C16H21N3O3/c20-14(11-17-8-4-1-5-9-17)12-18-15-7-3-2-6-13(15)10-16(18)19(21)22/h2-3,6-7,10,14,20H,1,4-5,8-9,11-12H2
InChIKeyUPWBAMZYISBDEL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol

1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol (PubChem CID 101042918) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol
PubChem CID101042918
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESO=[N+]([O-])c1cc2ccccc2n1CC(O)CN1CCCCC1
InChIInChI=1S/C16H21N3O3/c20-14(11-17-8-4-1-5-9-17)12-18-15-7-3-2-6-13(15)10-16(18)19(21)22/h2-3,6-7,10,14,20H,1,4-5,8-9,11-12H2
InChIKeyUPWBAMZYISBDEL-UHFFFAOYSA-N
XLogP2.40
TPSA71.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 7064426
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 46906417
(2S)-1-(azocan-1-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 9103497
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3154656
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2-methylindole-3-carbaldehyde
CID 6502483
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-nitrophenyl)benzenesulfonamide;hydrochloride
CID 52998314

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol (CID 101042918) is 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol is O=[N+]([O-])c1cc2ccccc2n1CC(O)CN1CCCCC1.
What is the InChIKey of 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is UPWBAMZYISBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14(11-17-8-4-1-5-9-17)12-18-15-7-3-2-6-13(15)10-16(18)19(21)22/h2-3,6-7,10,14,20H,1,4-5,8-9,11-12H2.
What are the key properties of 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol?
1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 303.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 101042918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).