methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine

C12H21N3O — CID 145380317

IUPACmethanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
SMILESCC1=CCN=C(N2CCCCC2)N=C1.CO
InChIInChI=1S/C11H17N3.CH4O/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14;1-2/h5,9H,2-4,6-8H2,1H3;2H,1H3
InChIKeyYFBRFAZBFOUPNS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds

About methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine

methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine (PubChem CID 145380317) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine.

Molecular Properties

Compound Namemethanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
PubChem CID145380317
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Namemethanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
SMILESCC1=CCN=C(N2CCCCC2)N=C1.CO
InChIInChI=1S/C11H17N3.CH4O/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14;1-2/h5,9H,2-4,6-8H2,1H3;2H,1H3
InChIKeyYFBRFAZBFOUPNS-UHFFFAOYSA-N
XLogP1.47
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
CID 145380318

Frequently Asked Questions

What is the IUPAC name of methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The IUPAC name of methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine (CID 145380317) is methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine.
What is the SMILES notation for methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The canonical SMILES for methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine is CC1=CCN=C(N2CCCCC2)N=C1.CO.
What is the InChIKey of methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The InChIKey is YFBRFAZBFOUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.CH4O/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14;1-2/h5,9H,2-4,6-8H2,1H3;2H,1H3.
What are the key properties of methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine has a molecular weight of 223.32 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine is sourced from PubChem (CID 145380317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).