2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride

C17H31ClNO2- — CID 45108799

IUPAC2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride
SMILESO=C1CCCCCCCCCCC1CN1CCOCC1.[Cl-]
InChIInChI=1S/C17H31NO2.ClH/c19-17-10-8-6-4-2-1-3-5-7-9-16(17)15-18-11-13-20-14-12-18;/h16H,1-15H2;1H/p-1
InChIKeyNMHXLYRLUUDWDU-UHFFFAOYSA-M
MW316.89 g/mol
LogP0.42
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride

2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride (PubChem CID 45108799) has the molecular formula C17H31ClNO2- and a molecular weight of 316.89 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride
PubChem CID45108799
Molecular FormulaC17H31ClNO2-
Molecular Weight316.89 g/mol
Exact Mass316.20
IUPAC Name2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride
SMILESO=C1CCCCCCCCCCC1CN1CCOCC1.[Cl-]
InChIInChI=1S/C17H31NO2.ClH/c19-17-10-8-6-4-2-1-3-5-7-9-16(17)15-18-11-13-20-14-12-18;/h16H,1-15H2;1H/p-1
InChIKeyNMHXLYRLUUDWDU-UHFFFAOYSA-M
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.89
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride?
The IUPAC name of 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride (CID 45108799) is 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride?
The canonical SMILES for 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride is O=C1CCCCCCCCCCC1CN1CCOCC1.[Cl-].
What is the InChIKey of 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride?
The InChIKey is NMHXLYRLUUDWDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H31NO2.ClH/c19-17-10-8-6-4-2-1-3-5-7-9-16(17)15-18-11-13-20-14-12-18;/h16H,1-15H2;1H/p-1.
What are the key properties of 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride?
2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride has a molecular weight of 316.89 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)cyclododecan-1-one chloride is sourced from PubChem (CID 45108799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).