N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine

C16H19FN4 — CID 115749931

IUPACN-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2CCCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C16H19FN4/c17-14-9-18-16(19-10-14)20-15-7-4-8-21(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,15H,4,7-8,11-12H2,(H,18,19,20)
InChIKeyBWXAWGBPRKSUMQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.69
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine

N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine (PubChem CID 115749931) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
PubChem CID115749931
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2CCCN(Cc3ccccc3)C2)nc1
InChIInChI=1S/C16H19FN4/c17-14-9-18-16(19-10-14)20-15-7-4-8-21(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,15H,4,7-8,11-12H2,(H,18,19,20)
InChIKeyBWXAWGBPRKSUMQ-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
CID 63719013
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine (CID 115749931) is N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine is Fc1cnc(NC2CCCN(Cc3ccccc3)C2)nc1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is BWXAWGBPRKSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-14-9-18-16(19-10-14)20-15-7-4-8-21(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,15H,4,7-8,11-12H2,(H,18,19,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine?
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 115749931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).