5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine

C14H22ClN3 — CID 155179640

IUPAC5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
SMILESCC(C)C(C)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3/c1-10(2)11(3)12-4-6-18(7-5-12)14-16-8-13(15)9-17-14/h8-12H,4-7H2,1-3H3
InChIKeySPBBENBKZQTJHW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine

5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 155179640) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
PubChem CID155179640
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
SMILESCC(C)C(C)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3/c1-10(2)11(3)12-4-6-18(7-5-12)14-16-8-13(15)9-17-14/h8-12H,4-7H2,1-3H3
InChIKeySPBBENBKZQTJHW-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223418
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine
CID 140577363
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
5-chloro-2-[4-[3-methyl-5-(4-methylsulfinylphenoxy)pentan-2-yl]piperidin-1-yl]pyrimidine
CID 71165000
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306
5-chloro-2-[4-(4-ethylcyclobut-2-yn-1-yl)piperidin-1-yl]pyrimidine
CID 123959617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine (CID 155179640) is 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine is CC(C)C(C)C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is SPBBENBKZQTJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10(2)11(3)12-4-6-18(7-5-12)14-16-8-13(15)9-17-14/h8-12H,4-7H2,1-3H3.
What are the key properties of 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine?
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 267.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 155179640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).