(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

C19H26ClN3O2 — CID 29256663

IUPAC(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCc1c(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H26ClN3O2/c1-13-14-3-2-4-15(20)19(14)21-16(13)11-22-6-5-17(18(24)12-22)23-7-9-25-10-8-23/h2-4,17-18,21,24H,5-12H2,1H3/t17-,18-/m1/s1
InChIKeyICTZMQPANPFLPG-QZTJIDSGSA-N
MW363.89 g/mol
LogP2.40
Rot. Bonds3

About (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (PubChem CID 29256663) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
PubChem CID29256663
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCc1c(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H26ClN3O2/c1-13-14-3-2-4-15(20)19(14)21-16(13)11-22-6-5-17(18(24)12-22)23-7-9-25-10-8-23/h2-4,17-18,21,24H,5-12H2,1H3/t17-,18-/m1/s1
InChIKeyICTZMQPANPFLPG-QZTJIDSGSA-N
XLogP2.40
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
(1S,5R)-7-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135093304
2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51902775
(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
CID 25385611
(3R,4R)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 31015761
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 26390770
4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
CID 77085757
(4aS,8aR)-1-(2-aminoethyl)-6-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56894162
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (CID 29256663) is (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is Cc1c(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)[nH]c2c(Cl)cccc12.
What is the InChIKey of (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The InChIKey is ICTZMQPANPFLPG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-13-14-3-2-4-15(20)19(14)21-16(13)11-22-6-5-17(18(24)12-22)23-7-9-25-10-8-23/h2-4,17-18,21,24H,5-12H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol has a molecular weight of 363.89 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is sourced from PubChem (CID 29256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).