(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol

C12H25N3O2 — CID 95067014

IUPAC(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](CN1CCCNCC1)CN1CCOCC1
InChIInChI=1S/C12H25N3O2/c16-12(11-15-6-8-17-9-7-15)10-14-4-1-2-13-3-5-14/h12-13,16H,1-11H2/t12-/m0/s1
InChIKeyMIJIWGLPVCQNMD-LBPRGKRZSA-N
MW243.35 g/mol
LogP-1.03
Rot. Bonds4

About (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol

(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 95067014) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID95067014
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](CN1CCCNCC1)CN1CCOCC1
InChIInChI=1S/C12H25N3O2/c16-12(11-15-6-8-17-9-7-15)10-14-4-1-2-13-3-5-14/h12-13,16H,1-11H2/t12-/m0/s1
InChIKeyMIJIWGLPVCQNMD-LBPRGKRZSA-N
XLogP-1.03
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65447751
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
7-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 57281741
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol (CID 95067014) is (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol is O[C@@H](CN1CCCNCC1)CN1CCOCC1.
What is the InChIKey of (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is MIJIWGLPVCQNMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3O2/c16-12(11-15-6-8-17-9-7-15)10-14-4-1-2-13-3-5-14/h12-13,16H,1-11H2/t12-/m0/s1.
What are the key properties of (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 243.35 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 95067014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).