4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine

C13H26Cl2N2O — CID 174525711

IUPAC4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
SMILESClCCN1CCCCC1.ClCCN1CCOCC1
InChIInChI=1S/C7H14ClN.C6H12ClNO/c8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h1-7H2;1-6H2
InChIKeyNKDMPPVRYJUHFE-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.27
Rot. Bonds4

About 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine

4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine (PubChem CID 174525711) has the molecular formula C13H26Cl2N2O and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
PubChem CID174525711
Molecular FormulaC13H26Cl2N2O
Molecular Weight297.27 g/mol
Exact Mass296.14
IUPAC Name4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
SMILESClCCN1CCCCC1.ClCCN1CCOCC1
InChIInChI=1S/C7H14ClN.C6H12ClNO/c8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h1-7H2;1-6H2
InChIKeyNKDMPPVRYJUHFE-UHFFFAOYSA-N
XLogP2.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.27
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

4-(2-chloroethyl)-2,2-dideuteriomorpholine
CID 162705481
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
CID 22403187
4-pent-4-ynyl-1,4-oxazepane
CID 115872934
2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
CID 162033952
4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
CID 162705405
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
1-(4-chlorobutyl)azepane
CID 22568254
4-(chloromethyl)morpholine;hydrate
CID 175868958
hydroxy-[hydroxy(morpholin-4-ylmethyl)silyl]oxy-(piperidin-1-ylmethyl)silane
CID 158273152

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine?
The IUPAC name of 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine (CID 174525711) is 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine?
The canonical SMILES for 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine is ClCCN1CCCCC1.ClCCN1CCOCC1.
What is the InChIKey of 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine?
The InChIKey is NKDMPPVRYJUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN.C6H12ClNO/c8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8/h1-7H2;1-6H2.
What are the key properties of 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine?
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine has a molecular weight of 297.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine is sourced from PubChem (CID 174525711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).