2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine

C14H21ClN2O — CID 106838569

IUPAC2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
SMILESCCOc1cccc(N2CCC(C(C)Cl)CC2)n1
InChIInChI=1S/C14H21ClN2O/c1-3-18-14-6-4-5-13(16-14)17-9-7-12(8-10-17)11(2)15/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyAZDQLRQACFMHKV-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine

2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine (PubChem CID 106838569) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine.

Molecular Properties

Compound Name2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
PubChem CID106838569
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
SMILESCCOc1cccc(N2CCC(C(C)Cl)CC2)n1
InChIInChI=1S/C14H21ClN2O/c1-3-18-14-6-4-5-13(16-14)17-9-7-12(8-10-17)11(2)15/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyAZDQLRQACFMHKV-UHFFFAOYSA-N
XLogP3.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.32
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

N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854408
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide
CID 136572679
2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
CID 55212201
1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride
CID 117069096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine?
The IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine (CID 106838569) is 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine.
What is the SMILES notation for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine?
The canonical SMILES for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine is CCOc1cccc(N2CCC(C(C)Cl)CC2)n1.
What is the InChIKey of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine?
The InChIKey is AZDQLRQACFMHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-18-14-6-4-5-13(16-14)17-9-7-12(8-10-17)11(2)15/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine?
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine has a molecular weight of 268.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine is sourced from PubChem (CID 106838569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).