2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine

C15H23ClN2 — CID 62091611

IUPAC2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
SMILESCC(C)(C)C1CCN(c2cc(CCl)ccn2)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2,3)13-5-8-18(9-6-13)14-10-12(11-16)4-7-17-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3
InChIKeyZYPHXPCRXNETTE-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.08
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine

2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine (PubChem CID 62091611) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
PubChem CID62091611
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
SMILESCC(C)(C)C1CCN(c2cc(CCl)ccn2)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2,3)13-5-8-18(9-6-13)14-10-12(11-16)4-7-17-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3
InChIKeyZYPHXPCRXNETTE-UHFFFAOYSA-N
XLogP4.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.08
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

4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370754
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170397345

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine (CID 62091611) is 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine is CC(C)(C)C1CCN(c2cc(CCl)ccn2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine?
The InChIKey is ZYPHXPCRXNETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2,3)13-5-8-18(9-6-13)14-10-12(11-16)4-7-17-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine?
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine has a molecular weight of 266.82 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine is sourced from PubChem (CID 62091611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).