4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol

C19H28ClN3O — CID 90807270

IUPAC4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol
SMILESOC1(CCN2CCC3(CC2)CNc2cc(Cl)ccc23)CCNCC1
InChIInChI=1S/C19H28ClN3O/c20-15-1-2-16-17(13-15)22-14-18(16)5-10-23(11-6-18)12-7-19(24)3-8-21-9-4-19/h1-2,13,21-22,24H,3-12,14H2
InChIKeyMOCILJCEIQDNQX-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.60
Rot. Bonds3

About 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol

4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol (PubChem CID 90807270) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol
PubChem CID90807270
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol
SMILESOC1(CCN2CCC3(CC2)CNc2cc(Cl)ccc23)CCNCC1
InChIInChI=1S/C19H28ClN3O/c20-15-1-2-16-17(13-15)22-14-18(16)5-10-23(11-6-18)12-7-19(24)3-8-21-9-4-19/h1-2,13,21-22,24H,3-12,14H2
InChIKeyMOCILJCEIQDNQX-UHFFFAOYSA-N
XLogP2.60
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 90232150
(E)-1-[(3R,4S)-4-[(1R)-2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-hydroxyethyl]-3,4-dihydroxypiperidin-1-yl]-3-(3,5-difluorophenyl)prop-2-en-1-one
CID 87211219
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2-[1-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]piperidin-4-yl]ethanol
CID 70866405
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]
CID 141080073
6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 83853408
6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 72546604
N-cyclopropyl-3-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropanamide
CID 166283639
5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90449913
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 58046534
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)-5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 70959341
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol (CID 90807270) is 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol is OC1(CCN2CCC3(CC2)CNc2cc(Cl)ccc23)CCNCC1.
What is the InChIKey of 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol?
The InChIKey is MOCILJCEIQDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c20-15-1-2-16-17(13-15)22-14-18(16)5-10-23(11-6-18)12-7-19(24)3-8-21-9-4-19/h1-2,13,21-22,24H,3-12,14H2.
What are the key properties of 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol?
4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol has a molecular weight of 349.91 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 90807270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).