2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

C18H27NO3 — CID 128982447

IUPAC2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOCc1cccc(CN2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C18H27NO3/c1-21-12-15-5-2-4-14(10-15)11-19-8-9-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,10,16-18,20H,3,6-9,11-13H2,1H3
InChIKeyKROVPTIGUMLYGW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol

2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 128982447) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID128982447
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESCOCc1cccc(CN2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C18H27NO3/c1-21-12-15-5-2-4-14(10-15)11-19-8-9-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,10,16-18,20H,3,6-9,11-13H2,1H3
InChIKeyKROVPTIGUMLYGW-UHFFFAOYSA-N
XLogP2.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167967294
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484142
trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484070
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129346639
2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 129484481
2-[4-[(1-phenylpyrazol-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982395
2-[4-[(2-methylquinolin-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167833631
3-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346536
3-[[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346535
trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129483962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol (CID 128982447) is 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is COCc1cccc(CN2CCOCC2C2CCCC2O)c1.
What is the InChIKey of 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is KROVPTIGUMLYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-12-15-5-2-4-14(10-15)11-19-8-9-22-13-17(19)16-6-3-7-18(16)20/h2,4-5,10,16-18,20H,3,6-9,11-13H2,1H3.
What are the key properties of 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol?
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 128982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).