(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol

C18H29N3O2 — CID 97435614

IUPAC(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
SMILESO[C@H]1CN(CCN2CCOCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O2/c22-18-15-20(7-6-19-10-12-23-13-11-19)8-9-21(16-18)14-17-4-2-1-3-5-17/h1-5,18,22H,6-16H2/t18-/m0/s1
InChIKeyWUXUALHWKFMQCU-SFHVURJKSA-N
MW319.45 g/mol
LogP0.50
Rot. Bonds5

About (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol

(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol (PubChem CID 97435614) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
PubChem CID97435614
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
SMILESO[C@H]1CN(CCN2CCOCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O2/c22-18-15-20(7-6-19-10-12-23-13-11-19)8-9-21(16-18)14-17-4-2-1-3-5-17/h1-5,18,22H,6-16H2/t18-/m0/s1
InChIKeyWUXUALHWKFMQCU-SFHVURJKSA-N
XLogP0.50
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1-benzyl-4-(4-methylpentyl)-1,4-diazepan-6-ol
CID 99978630
(6S)-1-benzyl-4-(3-pyrrol-1-ylpropyl)-1,4-diazepan-6-ol
CID 97277235
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-benzyl-4-pyrimidin-2-yl-1,4-diazepan-6-ol
CID 72907511
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
(3R)-1-benzylazepan-3-ol
CID 124585423
3-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 98863466
methane;4-(2-phenylethyl)morpholine
CID 143698819
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
CID 97278250
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618

Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol?
The IUPAC name of (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol (CID 97435614) is (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol.
What is the SMILES notation for (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol?
The canonical SMILES for (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol is O[C@H]1CN(CCN2CCOCC2)CCN(Cc2ccccc2)C1.
What is the InChIKey of (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol?
The InChIKey is WUXUALHWKFMQCU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-18-15-20(7-6-19-10-12-23-13-11-19)8-9-21(16-18)14-17-4-2-1-3-5-17/h1-5,18,22H,6-16H2/t18-/m0/s1.
What are the key properties of (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol?
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol has a molecular weight of 319.45 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol is sourced from PubChem (CID 97435614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).