5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine

C16H25ClN2O — CID 107875613

IUPAC5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
SMILESCC(C)(C)c1ccc(N2CCC(OCCCl)CC2)nc1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11H2,1-3H3
InChIKeyMFXBAJBIRCHLKL-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.60
Rot. Bonds4

About 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine

5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine (PubChem CID 107875613) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
PubChem CID107875613
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
SMILESCC(C)(C)c1ccc(N2CCC(OCCCl)CC2)nc1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11H2,1-3H3
InChIKeyMFXBAJBIRCHLKL-UHFFFAOYSA-N
XLogP3.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.60
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-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 107875698
3-[4-(2-chloroethoxy)piperidin-1-yl]-6-methylpyridazine
CID 82701305
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 107874234
1-(5-tert-butyl-2-pyridinyl)-4-(2-chloroethyl)-1,4-diazepane
CID 107875541
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline
CID 82687916
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
CID 82701379
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine (CID 107875613) is 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine is CC(C)(C)c1ccc(N2CCC(OCCCl)CC2)nc1.
What is the InChIKey of 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine?
The InChIKey is MFXBAJBIRCHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-16(2,3)13-4-5-15(18-12-13)19-9-6-14(7-10-19)20-11-8-17/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine?
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine has a molecular weight of 296.84 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 107875613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).