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

C16H25ClN2 — CID 107875656

IUPAC5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
SMILESCC(Cl)C1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C16H25ClN2/c1-12(17)13-7-9-19(10-8-13)15-6-5-14(11-18-15)16(2,3)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyDDSYMKUGYYAQJD-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.22
Rot. Bonds2

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

5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine (PubChem CID 107875656) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
PubChem CID107875656
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
SMILESCC(Cl)C1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C16H25ClN2/c1-12(17)13-7-9-19(10-8-13)15-6-5-14(11-18-15)16(2,3)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyDDSYMKUGYYAQJD-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-methylpiperazine
CID 58798727
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 107875698
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine (CID 107875656) is 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine is CC(Cl)C1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine?
The InChIKey is DDSYMKUGYYAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(17)13-7-9-19(10-8-13)15-6-5-14(11-18-15)16(2,3)4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine?
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine has a molecular weight of 280.84 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 107875656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).