(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol

C20H26N4O2 — CID 110157304

IUPAC(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c21-17-13-18(26-16-7-4-8-22-14-16)20(25)19(17)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8,14,17-20,25H,9-13,21H2/t17-,18-,19+,20+/m1/s1
InChIKeyYFTARHZZOLODEQ-ZRNYENFQSA-N
MW354.45 g/mol
LogP1.11
Rot. Bonds4

About (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol

(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol (PubChem CID 110157304) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
PubChem CID110157304
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c21-17-13-18(26-16-7-4-8-22-14-16)20(25)19(17)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8,14,17-20,25H,9-13,21H2/t17-,18-,19+,20+/m1/s1
InChIKeyYFTARHZZOLODEQ-ZRNYENFQSA-N
XLogP1.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(1S,2R,3R,5R)-5-amino-2-hydroxy-3-phenoxycyclopentyl]piperazin-1-yl]ethanone;dihydrochloride
CID 171687457
(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
CID 3065722
2-amino-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]acetamide
CID 110158548
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
CID 129453571
2-methoxy-3-pyridin-3-yloxycyclobutan-1-ol
CID 104673708
(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
CID 3065726
[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
CID 155902271
2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419572
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol (CID 110157304) is (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol is N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol?
The InChIKey is YFTARHZZOLODEQ-ZRNYENFQSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-17-13-18(26-16-7-4-8-22-14-16)20(25)19(17)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8,14,17-20,25H,9-13,21H2/t17-,18-,19+,20+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol?
(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol is sourced from PubChem (CID 110157304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).