trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

C17H25NO3 — CID 129484142

IUPACtrans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESOCc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2/t15-,16-,17+/m1/s1
InChIKeyNMOISNABVOAFDJ-ZACQAIPSSA-N
MW291.39 g/mol
LogP1.54
Rot. Bonds4

About trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 129484142) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID129484142
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametrans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESOCc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2/t15-,16-,17+/m1/s1
InChIKeyNMOISNABVOAFDJ-ZACQAIPSSA-N
XLogP1.54
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol with MolForge

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Related Compounds

2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167967294
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129346639
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129483962
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
2-[4-[(1-phenylpyrazol-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982395
2-[4-[(5-fluoro-2-pyridinyl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128971032
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
cis-(1R,2R)-2-[(3S)-4-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129491643
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
2-[4-[(4-methylquinazolin-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985818

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (CID 129484142) is trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is OCc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1.
What is the InChIKey of trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is NMOISNABVOAFDJ-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H25NO3/c19-11-14-6-4-13(5-7-14)10-18-8-9-21-12-16(18)15-2-1-3-17(15)20/h4-7,15-17,19-20H,1-3,8-12H2/t15-,16-,17+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 129484142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).