2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile

C11H13FN4 — CID 155941665

IUPAC2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC(CF)C2)n1
InChIInChI=1S/C11H13FN4/c12-6-9-2-1-5-16(8-9)11-14-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2
InChIKeyMKGWVPYKAYKVOY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.53
Rot. Bonds2

About 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile

2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 155941665) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID155941665
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC(CF)C2)n1
InChIInChI=1S/C11H13FN4/c12-6-9-2-1-5-16(8-9)11-14-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2
InChIKeyMKGWVPYKAYKVOY-UHFFFAOYSA-N
XLogP1.53
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354148
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 155974429
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile (CID 155941665) is 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCCC(CF)C2)n1.
What is the InChIKey of 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is MKGWVPYKAYKVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-6-9-2-1-5-16(8-9)11-14-4-3-10(7-13)15-11/h3-4,9H,1-2,5-6,8H2.
What are the key properties of 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 155941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).