(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C16H21N5O — CID 133128985

IUPAC(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESNCc1cn([C@H]2c3ccccc3C3(CCNCC3)[C@@H]2O)nn1
InChIInChI=1S/C16H21N5O/c17-9-11-10-21(20-19-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-18-8-6-16/h1-4,10,14-15,18,22H,5-9,17H2/t14-,15+/m0/s1
InChIKeyRNTCXEBTEFAMDX-LSDHHAIUSA-N
MW299.38 g/mol
LogP0.32
Rot. Bonds2

About (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133128985) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133128985
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESNCc1cn([C@H]2c3ccccc3C3(CCNCC3)[C@@H]2O)nn1
InChIInChI=1S/C16H21N5O/c17-9-11-10-21(20-19-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-18-8-6-16/h1-4,10,14-15,18,22H,5-9,17H2/t14-,15+/m0/s1
InChIKeyRNTCXEBTEFAMDX-LSDHHAIUSA-N
XLogP0.32
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133121224
(1R,2R)-1-[4-(3-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;hydrochloride
CID 154893681
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133116592
(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128337
(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 28954987
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30957280
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31192833
(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133113862
2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
CID 30937418
(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29028308

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133128985) is (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is NCc1cn([C@H]2c3ccccc3C3(CCNCC3)[C@@H]2O)nn1.
What is the InChIKey of (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is RNTCXEBTEFAMDX-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21N5O/c17-9-11-10-21(20-19-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-18-8-6-16/h1-4,10,14-15,18,22H,5-9,17H2/t14-,15+/m0/s1.
What are the key properties of (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 299.38 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133128985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).