(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine

C16H19F2N3O — CID 173009231

IUPAC(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine
SMILESFc1ccc(F)c([C@@H]2N=CNC=C2OCC2CCNCC2)c1
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(7-12)16-15(8-20-10-21-16)22-9-11-3-5-19-6-4-11/h1-2,7-8,10-11,16,19H,3-6,9H2,(H,20,21)/t16-/m0/s1
InChIKeyJCZJJRVAKFPNSO-INIZCTEOSA-N
MW307.34 g/mol
LogP2.49
Rot. Bonds4

About (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine

(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine (PubChem CID 173009231) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine
PubChem CID173009231
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine
SMILESFc1ccc(F)c([C@@H]2N=CNC=C2OCC2CCNCC2)c1
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(7-12)16-15(8-20-10-21-16)22-9-11-3-5-19-6-4-11/h1-2,7-8,10-11,16,19H,3-6,9H2,(H,20,21)/t16-/m0/s1
InChIKeyJCZJJRVAKFPNSO-INIZCTEOSA-N
XLogP2.49
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 138723133
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426
4-fluoro-3-(piperidin-4-ylmethoxy)pyridine
CID 142361424
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
5-chloro-2-(piperidin-4-ylmethoxy)pyridine
CID 62348953
(7S)-7-(2,5-difluorophenyl)-1,4-thiazepane
CID 124680748
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine?
The IUPAC name of (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine (CID 173009231) is (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine.
What is the SMILES notation for (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine?
The canonical SMILES for (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine is Fc1ccc(F)c([C@@H]2N=CNC=C2OCC2CCNCC2)c1.
What is the InChIKey of (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine?
The InChIKey is JCZJJRVAKFPNSO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(7-12)16-15(8-20-10-21-16)22-9-11-3-5-19-6-4-11/h1-2,7-8,10-11,16,19H,3-6,9H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine?
(4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine has a molecular weight of 307.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-difluorophenyl)-5-(piperidin-4-ylmethoxy)-1,4-dihydropyrimidine is sourced from PubChem (CID 173009231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).