(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H27N3O — CID 31015982

IUPAC(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)ccn1
InChIInChI=1S/C21H27N3O/c1-15-13-16(7-10-23-15)14-24(2)19-17-5-3-4-6-18(17)21(20(19)25)8-11-22-12-9-21/h3-7,10,13,19-20,22,25H,8-9,11-12,14H2,1-2H3/t19-,20+/m1/s1
InChIKeyADNMJJLQTDJUJO-UXHICEINSA-N
MW337.47 g/mol
LogP2.56
Rot. Bonds3

About (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31015982) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31015982
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)ccn1
InChIInChI=1S/C21H27N3O/c1-15-13-16(7-10-23-15)14-24(2)19-17-5-3-4-6-18(17)21(20(19)25)8-11-22-12-9-21/h3-7,10,13,19-20,22,25H,8-9,11-12,14H2,1-2H3/t19-,20+/m1/s1
InChIKeyADNMJJLQTDJUJO-UXHICEINSA-N
XLogP2.56
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31015982) is (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1cc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)ccn1.
What is the InChIKey of (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is ADNMJJLQTDJUJO-UXHICEINSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-13-16(7-10-23-15)14-24(2)19-17-5-3-4-6-18(17)21(20(19)25)8-11-22-12-9-21/h3-7,10,13,19-20,22,25H,8-9,11-12,14H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 337.47 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31015982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).