1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol

C20H32N2O3 — CID 167949613

IUPAC1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol
SMILESCc1cccc(CN2CCOC(CNCC(O)C3(O)CCCC3)C2)c1
InChIInChI=1S/C20H32N2O3/c1-16-5-4-6-17(11-16)14-22-9-10-25-18(15-22)12-21-13-19(23)20(24)7-2-3-8-20/h4-6,11,18-19,21,23-24H,2-3,7-10,12-15H2,1H3
InChIKeyVDLKHJZKRNCYCN-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.45
Rot. Bonds7

About 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol

1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol (PubChem CID 167949613) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol
PubChem CID167949613
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol
SMILESCc1cccc(CN2CCOC(CNCC(O)C3(O)CCCC3)C2)c1
InChIInChI=1S/C20H32N2O3/c1-16-5-4-6-17(11-16)14-22-9-10-25-18(15-22)12-21-13-19(23)20(24)7-2-3-8-20/h4-6,11,18-19,21,23-24H,2-3,7-10,12-15H2,1H3
InChIKeyVDLKHJZKRNCYCN-UHFFFAOYSA-N
XLogP1.45
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78772023
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[(4-benzylmorpholin-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 42895596
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26900131

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol (CID 167949613) is 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol is Cc1cccc(CN2CCOC(CNCC(O)C3(O)CCCC3)C2)c1.
What is the InChIKey of 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol?
The InChIKey is VDLKHJZKRNCYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16-5-4-6-17(11-16)14-22-9-10-25-18(15-22)12-21-13-19(23)20(24)7-2-3-8-20/h4-6,11,18-19,21,23-24H,2-3,7-10,12-15H2,1H3.
What are the key properties of 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol?
1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol has a molecular weight of 348.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-[[4-[(3-methylphenyl)methyl]morpholin-2-yl]methylamino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 167949613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).