2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine

C14H27ClN2O — CID 64534748

IUPAC2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCCC(CCl)C2)C1
InChIInChI=1S/C14H27ClN2O/c1-12(2)17-6-7-18-14(11-17)10-16-5-3-4-13(8-15)9-16/h12-14H,3-11H2,1-2H3
InChIKeyLGWMQFWJARGCHO-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.05
Rot. Bonds4

About 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 64534748) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID64534748
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCCC(CCl)C2)C1
InChIInChI=1S/C14H27ClN2O/c1-12(2)17-6-7-18-14(11-17)10-16-5-3-4-13(8-15)9-16/h12-14H,3-11H2,1-2H3
InChIKeyLGWMQFWJARGCHO-UHFFFAOYSA-N
XLogP2.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64532579
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64533682
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 102785155
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 64534748) is 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(CN2CCCC(CCl)C2)C1.
What is the InChIKey of 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is LGWMQFWJARGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-12(2)17-6-7-18-14(11-17)10-16-5-3-4-13(8-15)9-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 274.84 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 64534748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).