1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine

C14H22ClN3 — CID 54986029

IUPAC1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc(CCl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-17(2)11-12-4-7-18(8-5-12)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3
InChIKeyIUPUOBXPJYJQAS-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.60
Rot. Bonds4

About 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 54986029) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID54986029
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc(CCl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-17(2)11-12-4-7-18(8-5-12)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3
InChIKeyIUPUOBXPJYJQAS-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.60
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

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
CID 55154937
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
1-[2-(chloromethyl)-4-pyridinyl]-4-(4-chlorophenyl)piperazine
CID 61255753
1-[2-(chloromethyl)-4-pyridinyl]-4-propylpiperazine
CID 61255536
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
1-[4-(4-ethylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62288899
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
CID 55002534
1-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62672885
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 54986029) is 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2ccnc(CCl)c2)CC1.
What is the InChIKey of 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is IUPUOBXPJYJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17(2)11-12-4-7-18(8-5-12)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 267.80 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54986029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).