4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine

C11H16ClN3 — CID 63391999

IUPAC4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
SMILESClCCC1CCCCN1c1ccncn1
InChIInChI=1S/C11H16ClN3/c12-6-4-10-3-1-2-8-15(10)11-5-7-13-9-14-11/h5,7,9-10H,1-4,6,8H2
InChIKeyOINWIFJWODPHAT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.46
Rot. Bonds3

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

4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine (PubChem CID 63391999) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
PubChem CID63391999
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
SMILESClCCC1CCCCN1c1ccncn1
InChIInChI=1S/C11H16ClN3/c12-6-4-10-3-1-2-8-15(10)11-5-7-13-9-14-11/h5,7,9-10H,1-4,6,8H2
InChIKeyOINWIFJWODPHAT-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.46
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-[2-(2-chloroethyl)piperidin-1-yl]-5-fluoropyridine
CID 63391998
1-(1-pyrimidin-4-ylazepan-2-yl)propan-2-ol
CID 112748409
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
3-chloro-4-[2-(2-chloroethyl)piperidin-1-yl]pyridine
CID 79840944
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55184425
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
4-[2-(2-chloroethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63392508
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
CID 83062355

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine (CID 63391999) is 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine is ClCCC1CCCCN1c1ccncn1.
What is the InChIKey of 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine?
The InChIKey is OINWIFJWODPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-6-4-10-3-1-2-8-15(10)11-5-7-13-9-14-11/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine?
4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 63391999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).